Vitas-M small molecule compound
methyl 2-{[(4-methoxy-3-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK451649
SMILES COC(=O)c1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])OC)sc2c1CCCC2
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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 C18H18N2O6S MW 390.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O6S/c1-25-13-8-7-10(9-12(13)20(23)24)16(21)19-17-15(18(22)26-2)11-5-3-4-6-14(11)27-17/h7-9H,3-6H2,1-2H3,(H,19,21)InChIKey
HQOQFSRJVXXOQM-UHFFFAOYSA-NSynonyms
COC(=O)c1c(NC(=O)c2ccc(c(c2)(N+)(=O)(O))OC)sc2c1CCCC2
COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)(N+)(=O)(O)
InChI=1SC18H18N2O6Sc125138710(912(13)20(23)24)16(21)191715(18(22)262)11534614(11)2717h79H36H212H3(H1921)
methyl2(((4methoxy3nitrophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((4methoxy3nitrobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD03073445
ZINC000000696022
ZINC00696022
ZINC696022
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