Vitas-M small molecule compound

ethyl 4,5-dimethyl-2-({[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate

Catalog ID
STK983872
SMILES CCOC(=O)c1c(NC(=O)CSc2[nH]c3c(n2)cc(cc3)C)sc(c1C)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 C19H21N3O3S2 MW 403.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O3S2/c1-5-25-18(24)16-11(3)12(4)27-17(16)22-15(23)9-26-19-20-13-7-6-10(2)8-14(13)21-19/h6-8H,5,9H2,1-4H3,(H,20,21)(H,22,23)
InChIKey
YJSOBTAWELBICQ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)C
CCOC(=O)c1c(NC(=O)CSc2(nH)c3c(n2)cc(cc3)C)sc(c1C)C
ethyl45dimethyl2((((5methyl1Hbenzimidazol2yl)sulfanyl)acetyl)amino)thiophene3carboxylate
ETHYL45DIMETHYL2((2((6METHYL1HBENZIMIDAZOL2YL)SULFANYL)ACETYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL45DIMETHYL2(2(5METHYLBENZIMIDAZOL2YLTHIO)ACETYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC19H21N3O3S2c152518(24)1611(3)12(4)2717(16)2215(23)9261920137610(2)814(13)2119h68H59H214H3(H2021)(H2223)
MFCD05328548
ZINC000006582419
ZINC06582419
ZINC6582419

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Available files

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