Vitas-M small molecule compound
ethyl (5E)-5-benzylidene-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK079651
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C/c2ccccc2)/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(12-13-6-4-3-5-7-13)28-19(17)21-14-8-10-15(11-9-14)22(25)26/h3-12,21H,2H2,1H3/b16-12+InChIKey
HXPOBJDRRAXKDI-FOWTUZBSSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)(N+)(=O)(O))SC(=Cc2ccccc2)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=CC=C2)C1=O)NC3=CC=C(C=C3)(N+)(=O)(O)
ETHYL(5E)5BENZYLIDENE2((4NITROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5E)5BENZYLIDENE2(4NITROANILINO)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC20H16N2O5Sc122720(24)1718(23)16(12136435713)2819(17)211481015(11914)22(25)26h31221H2H21H3b1612+
MFCD03032951
STK079651
ZINC000100209197
ZINC100209197
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