Vitas-M small molecule compound

methyl 3-({[(2-chlorobenzyl)sulfanyl]acetyl}amino)-2-methylbenzoate

Catalog ID
STK294042
SMILES COC(=O)c1cccc(c1C)NC(=O)CSCc1ccccc1Cl

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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/c1-12-14(18(22)23-2)7-5-9-16(12)20-17(21)11-24-10-13-6-3-4-8-15(13)19/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKey
MMHKQFBZTFBCEM-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC=C1NC(=O)CSCC2=CC=CC=C2Cl)C(=O)OC
InChI=1SC18H18ClNO3Sc11214(18(22)232)75916(12)2017(21)11241013634815(13)19h39H1011H212H3(H2021)
methyl3((((2chlorobenzyl)sulfanyl)acetyl)amino)2methylbenzoate
methyl3((2((2chlorophenyl)methylsulfanyl)acetyl)amino)2methylbenzoate
MFCD04362577
ZINC000008330579
ZINC08330579
ZINC8330579

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Available files

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