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Product Code

TRC-V091480

Product Format

Neat

Molecular Formula

C28 H29 Cl3 N4 O4 S

Molecular Weight

623.978

Price and availability

48-hour USA dispatch time
Freight restricted.

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Product Information

Chemical Data

Analyte Name

S-(Valeroxymethoxymethyl)-Salubrinal

Molecular Formula

C28 H29 Cl3 N4 O4 S

Molecular Weight

623.978

Accurate Mass

622.098

SMILES

CCCCC(=O)OCOCS\C(=N\c1cccc2cccnc12)\NC(NC(=O)\C=C\c3ccccc3)C(Cl)(Cl)Cl

InChI

InChI=1S/C28H29Cl3N4O4S/c1-2-3-14-24(37)39-18-38-19-40-27(33-22-13-7-11-21-12-8-17-32-25(21)22)35-26(28(29,30)31)34-23(36)16-15-20-9-5-4-6-10-20/h4-13,15-17,26H,2-3,14,18-19H2,1H3,(H,33,35)(H,34,36)/b16-15+

IUPAC

[(E)-N'-quinolin-8-yl-N-[2,2,2-trichloro-1-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]carbamimidoyl]sulfanylmethoxymethyl pentanoate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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