Vitas-M small molecule compound

methyl 3-({[(4-chlorobenzyl)sulfanyl]acetyl}amino)-4-methylbenzoate

Catalog ID
STL102015
SMILES COC(=O)c1ccc(c(c1)NC(=O)CSCc1ccc(cc1)Cl)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C18H18ClNO3S MW 363.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClNO3S/c1-12-3-6-14(18(22)23-2)9-16(12)20-17(21)11-24-10-13-4-7-15(19)8-5-13/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKey
ROLALFQSSPLECY-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC2=CC=C(C=C2)Cl
InChI=1SC18H18ClNO3Sc1123614(18(22)232)916(12)2017(21)112410134715(19)8513h39H1011H212H3(H2021)
methyl3((((4chlorobenzyl)sulfanyl)acetyl)amino)4methylbenzoate
METHYL3((2((4CHLOROPHENYL)METHYLSULFANYL)ACETYL)AMINO)4METHYLBENZOATE
MFCD03143409
ZINC000001148294
ZINC01148294
ZINC1148294

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.