N-Des(-3'-oxopropanenitrile)-N-(methyl)benzene Tofacitinib N-Hydrosulfinylmethylbenzene
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- structure.search.product.name N-Des(-3'-oxopropanenitrile)-N-(methyl)benzene Tofacitinib N-Hydrosulfinylmethylbenzene
- Product Code: TRC-D221720
- CAS Number: 2504210-33-5
- Brand: TRC
Product Overview
Product Code
TRC-D221720
CAS Number
Product Format
Neat
Molecular Formula
C27H31N5OS
Molecular Weight
473.64
Product Categories
Documentation
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Product Information
Chemical Data
Analyte Name
N-Des(-3'-oxopropanenitrile)-N-(methyl)benzene Tofacitinib N-Hydrosulfinylmethylbenzene
CAS Number
2504210-33-5
Molecular Formula
C27H31N5OS
Molecular Weight
473.64
Accurate Mass
473.22
SMILES
CN([C@H]1CN(CC[C@H]1C)CC2=CC=CC=C2)C3=C4C(N(C=C4)S(C5=CC=C(C=C5)C)=O)=NC=N3
InChI
InChI=1S/C27H31N5OS/c1-20-9-11-23(12-10-20)34(33)32-16-14-24-26(28-19-29-27(24)32)30(3)25-18-31(15-13-21(25)2)17-22-7-5-4-6-8-22/h4-12,14,16,19,21,25H,13,15,17-18H2,1-3H3/t21-,25+,34?/m1/s1
IUPAC
N-((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-N-methyl-7-(p-tolylsulfinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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