Vitas-M small molecule compound
ethyl 2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK032465
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])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 C20H20N2O5S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O5S/c1-2-27-20(24)18-15-8-3-4-9-16(15)28-19(18)21-17(23)11-10-13-6-5-7-14(12-13)22(25)26/h5-7,10-12H,2-4,8-9H2,1H3,(H,21,23)/b11-10+InChIKey
PXEJACBZVFSAIB-ZHACJKMWSA-NSynonyms
299953-31-4299953314
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC3=CC(=CC=C3)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)C=Cc2cccc(c2)(N+)(=O)(O))sc2c1CCCC2
ethyl2(((2E)3(3nitrophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)3(3nitrophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H20N2O5Sc122720(24)1815834916(15)2819(18)2117(23)11101365714(1213)22(25)26h571012H2489H21H3(H2123)b1110+
MFCD00357956
STK032465
ZINC000000755234
ZINC00755234
ZINC755234
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