Vitas-M small molecule compound
ethyl (5E)-5-(4-nitrobenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK073763
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(cc2)[N+](=O)[O-])/C1=O
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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 C20H16N2O5S MW 396.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O5S/c1-2-27-20(24)17-18(23)16(12-13-8-10-15(11-9-13)22(25)26)28-19(17)21-14-6-4-3-5-7-14/h3-12,21H,2H2,1H3/b16-12+InChIKey
GBNFCUHEVIIMBZ-FOWTUZBSSA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(cc2)(N+)(=O)(O))C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)(N+)(=O)(O))C1=O)NC3=CC=CC=C3
ETHYL(5E)2ANILINO5((4NITROPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5E)5(4NITROBENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC20H16N2O5Sc122720(24)1718(23)16(121381015(11913)22(25)26)2819(17)21146435714h31221H2H21H3b1612+
MFCD03033920
STK073763
ZINC000101473690
ZINC101473690
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