Vitas-M small molecule compound
2-{[(3-nitrophenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Catalog ID
STK488794
SMILES O=C(c1cccc(c1)[N+](=O)[O-])Nc1sc2c(c1C(=O)N)CCCCCC2
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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 C18H19N3O4S MW 373.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O4S/c19-16(22)15-13-8-3-1-2-4-9-14(13)26-18(15)20-17(23)11-6-5-7-12(10-11)21(24)25/h5-7,10H,1-4,8-9H2,(H2,19,22)(H,20,23)InChIKey
QSPNTKUQGBKWCP-UHFFFAOYSA-NSynonyms
2(((3nitrophenyl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxamide
2((3nitrobenzoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxamide
C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)N
InChI=1SC18H19N3O4Sc1916(22)151383124914(13)2618(15)2017(23)1165712(1011)21(24)25h5710H1489H2(H21922)(H2023)
MFCD01351824
O=C(c1cccc(c1)(N+)(=O)(O))Nc1sc2c(c1C(=O)N)CCCCCC2
ZINC000005671419
ZINC05671419
ZINC5671419
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