Vitas-M small molecule compound
methyl 2-{[(3-methyl-4-nitrophenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK418164
SMILES COC(=O)c1c(NC(=O)c2ccc(c(c2)C)[N+](=O)[O-])sc2c1CCCCCC2
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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 C20H22N2O5S MW 402.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O5S/c1-12-11-13(9-10-15(12)22(25)26)18(23)21-19-17(20(24)27-2)14-7-5-3-4-6-8-16(14)28-19/h9-11H,3-8H2,1-2H3,(H,21,23)InChIKey
DUFQHPPYVSIWTO-UHFFFAOYSA-NSynonyms
352687-88-8352687888
CC1=C(C=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC)(N+)(=O)(O)
COC(=O)c1c(NC(=O)c2ccc(c(c2)C)(N+)(=O)(O))sc2c1CCCCCC2
InChI=1SC20H22N2O5Sc1121113(91015(12)22(25)26)18(23)211917(20(24)272)1475346816(14)2819h911H38H212H3(H2123)
methyl2(((3methyl4nitrophenyl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((3methyl4nitrobenzoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD01356574
ZINC000002083754
ZINC02083754
ZINC2083754
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