Vitas-M small molecule compound
diethyl 3-methyl-5-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}thiophene-2,4-dicarboxylate
Catalog ID
STK863992
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])sc(c1C)C(=O)OCC
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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 C20H20N2O7S MW 432.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O7S/c1-4-28-19(24)16-12(3)17(20(25)29-5-2)30-18(16)21-15(23)10-9-13-7-6-8-14(11-13)22(26)27/h6-11H,4-5H2,1-3H3,(H,21,23)/b10-9+InChIKey
NHVMQSGKDPAWIB-MDZDMXLPSA-NSynonyms
371136-80-0(E)diethyl3methyl5(3(3nitrophenyl)acrylamido)thiophene24dicarboxylate
371136800
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C=CC2=CC(=CC=C2)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)C=Cc2cccc(c2)(N+)(=O)(O))sc(c1C)C(=O)OCC
diethyl3methyl5(((2E)3(3nitrophenyl)prop2enoyl)amino)thiophene24dicarboxylate
DIETHYL3METHYL5(((E)3(3NITROPHENYL)PROP2ENOYL)AMINO)THIOPHENE24DICARBOXYLATE
ETHYL2((2E)3(3NITROPHENYL)PROP2ENOYLAMINO)5(ETHOXYCARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC20H20N2O7Sc142819(24)1612(3)17(20(25)2952)3018(16)2115(23)1091376814(1113)22(26)27h611H45H213H3(H2123)b109+
MFCD00706739
ZINC000001903815
ZINC01903815
ZINC1903815
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