Vitas-M small molecule compound

ethyl 2-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}-5-methylthiophene-3-carboxylate

Catalog ID
STK467814
SMILES CCOC(=O)c1cc(sc1NC(=O)CSc1nc2c([nH]1)cccc2)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 C17H17N3O3S2 MW 375.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O3S2/c1-3-23-16(22)11-8-10(2)25-15(11)20-14(21)9-24-17-18-12-6-4-5-7-13(12)19-17/h4-8H,3,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKey
NKDZHOHKMLESIB-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1)C)NC(=O)CSC2=NC3=CC=CC=C3N2
CCOC(=O)c1cc(sc1NC(=O)CSc1nc2c((nH)1)cccc2)C
ethyl2(((1Hbenzimidazol2ylsulfanyl)acetyl)amino)5methylthiophene3carboxylate
ethyl2((2(1Hbenzimidazol2ylsulfanyl)acetyl)amino)5methylthiophene3carboxylate
ETHYL2(2BENZIMIDAZOL2YLTHIOACETYLAMINO)5METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC17H17N3O3S2c132316(22)11810(2)2515(11)2014(21)924171812645713(12)1917h48H39H212H3(H1819)(H2021)
MFCD06171044
ZINC000017076802
ZINC17076802

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Available files

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