Vitas-M small molecule compound
ethyl 6-methyl-2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK421623
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])sc2c1CCC(C2)C
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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 C21H22N2O5S MW 414.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5S/c1-3-28-21(25)19-16-9-7-13(2)11-17(16)29-20(19)22-18(24)10-8-14-5-4-6-15(12-14)23(26)27/h4-6,8,10,12-13H,3,7,9,11H2,1-2H3,(H,22,24)/b10-8+InChIKey
FHDZGUTZVWIDQR-CSKARUKUSA-NSynonyms
352679-15-3352679153
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C=CC3=CC(=CC=C3)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)C=Cc2cccc(c2)(N+)(=O)(O))sc2c1CCC(C2)C
ethyl6methyl2(((2E)3(3nitrophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6methyl2(((E)3(3nitrophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H22N2O5Sc132821(25)19169713(2)1117(16)2920(19)2218(24)1081454615(1214)23(26)27h468101213H37911H212H3(H2224)b108+
MFCD01344235
ZINC000000995598
ZINC000000995600
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