Vitas-M small molecule compound

3-chloro-7-nitro-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-1-benzothiophene-2-carboxamide

Catalog ID
STK243664
SMILES O=C(c1sc2c(c1Cl)cccc2[N+](=O)[O-])Nc1ccc2c(c1)[nH]c(=O)[nH]2

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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 C16H9ClN4O4S MW 388.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9ClN4O4S/c17-12-8-2-1-3-11(21(24)25)13(8)26-14(12)15(22)18-7-4-5-9-10(6-7)20-16(23)19-9/h1-6H,(H,18,22)(H2,19,20,23)
InChIKey
JKRNOKGSTQLAIC-UHFFFAOYSA-N
Synonyms
892696-58-1
3CHLORO7NITRON(2OXO13DIHYDROBENZIMIDAZOL5YL)1BENZOTHIOPHENE2CARBOXAMIDE
3chloro7nitroN(2oxo23dihydro1Hbenzimidazol5yl)1benzothiophene2carboxamide
3chloro7nitroN(2oxo23dihydro1Hbenzo(d)imidazol5yl)benzo(b)thiophene2carboxamide
892696581
C1=CC2=C(C(=C1)(N+)(=O)(O))SC(=C2Cl)C(=O)NC3=CC4=C(C=C3)NC(=O)N4
InChI=1SC16H9ClN4O4Sc1712821311(21(24)25)13(8)2614(12)15(22)18745910(67)2016(23)199h16H(H1822)(H2192023)
MFCD07143856
O=C(c1sc2c(c1Cl)cccc2(N+)(=O)(O))Nc1ccc2c(c1)(nH)c(=O)(nH)2
ZINC000006754897
ZINC06754897
ZINC6754897

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Available files

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