Vitas-M small molecule compound
2-{[(4-chloro-3-nitrophenyl)carbonyl]amino}-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK880483
SMILES O=C(c1c(sc2c1CCCC2)NC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)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 C22H19ClN4O4S MW 470.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN4O4S/c23-16-8-7-14(10-17(16)27(30)31)20(28)26-22-19(15-5-1-2-6-18(15)32-22)21(29)25-12-13-4-3-9-24-11-13/h3-4,7-11H,1-2,5-6,12H2,(H,25,29)(H,26,28)InChIKey
LRNVLZWMFLJTJX-UHFFFAOYSA-NSynonyms
609796-13-62(((4chloro3nitrophenyl)carbonyl)amino)N(pyridin3ylmethyl)4567tetrahydro1benzothiophene3carboxamide
2((4chloro3nitrobenzoyl)amino)N(pyridin3ylmethyl)4567tetrahydro1benzothiophene3carboxamide
609796136
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O))C(=O)NCC4=CN=CC=C4
InChI=1SC22H19ClN4O4Sc23168714(1017(16)27(30)31)20(28)262219(15512618(15)3222)21(29)251213439241113h34711H125612H2(H2529)(H2628)
MFCD03718494
O=C(c1c(sc2c1CCCC2)NC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl)NCc1cccnc1
ZINC000001121017
ZINC01121017
ZINC1121017
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