Vitas-M small molecule compound

2-{[(4-nitrophenyl)carbonyl]amino}-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STK880482
SMILES O=C(c1c(sc2c1CCCC2)NC(=O)c1ccc(cc1)[N+](=O)[O-])NCc1cccnc1

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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 C22H20N4O4S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4S/c27-20(15-7-9-16(10-8-15)26(29)30)25-22-19(17-5-1-2-6-18(17)31-22)21(28)24-13-14-4-3-11-23-12-14/h3-4,7-12H,1-2,5-6,13H2,(H,24,28)(H,25,27)
InChIKey
VETIMHIGJSBRRG-UHFFFAOYSA-N
Synonyms
609796-11-4
2(((4nitrophenyl)carbonyl)amino)N(pyridin3ylmethyl)4567tetrahydro1benzothiophene3carboxamide
2((4nitrobenzoyl)amino)N(pyridin3ylmethyl)4567tetrahydro1benzothiophene3carboxamide
609796114
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)NCC4=CN=CC=C4
InChI=1SC22H20N4O4Sc2720(157916(10815)26(29)30)252219(17512618(17)3122)21(28)2413144311231214h34712H125613H2(H2428)(H2527)
MFCD03718738
O=C(c1c(sc2c1CCCC2)NC(=O)c1ccc(cc1)(N+)(=O)(O))NCc1cccnc1
ZINC000001121360
ZINC01121360
ZINC1121360

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Available files

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