Vitas-M small molecule compound
2-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Catalog ID
STK333428
SMILES O=C(Nc1sc2c(c1C(=O)N)CCCCC2)/C=C/c1ccc(cc1)[N+](=O)[O-]
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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 C19H19N3O4S MW 385.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O4S/c20-18(24)17-14-4-2-1-3-5-15(14)27-19(17)21-16(23)11-8-12-6-9-13(10-7-12)22(25)26/h6-11H,1-5H2,(H2,20,24)(H,21,23)/b11-8+InChIKey
XECQYQAJSTVAFO-DHZHZOJOSA-NSynonyms
2(((2E)3(4nitrophenyl)prop2enoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
2(((E)3(4nitrophenyl)prop2enoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C=CC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC19H19N3O4Sc2018(24)17144213515(14)2719(17)2116(23)118126913(10712)22(25)26h611H15H2(H22024)(H2123)b118+
MFCD01342944
O=C(Nc1sc2c(c1C(=O)N)CCCCC2)C=Cc1ccc(cc1)(N+)(=O)(O)
ZINC000000995288
ZINC00995288
ZINC995288
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