Vitas-M small molecule compound
ethyl (5Z)-5-(4-nitrobenzylidene)-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158371
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])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 C20H15N3O7S MW 441.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O7S/c1-2-30-20(25)17-18(24)16(11-12-3-7-14(8-4-12)22(26)27)31-19(17)21-13-5-9-15(10-6-13)23(28)29/h3-11,21H,2H2,1H3/b16-11-InChIKey
OTIORBOQPDYTEP-WJDWOHSUSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)(N+)(=O)(O))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=C(C=C3)(N+)(=O)(O)
ETHYL(5Z)2(4NITROANILINO)5((4NITROPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(4NITROBENZYLIDENE)2((4NITROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC20H15N3O7Sc123020(25)1718(24)16(11123714(8412)22(26)27)3119(17)21135915(10613)23(28)29h31121H2H21H3b1611
MFCD02927831
ZINC000009721112
ZINC09721112
ZINC9721112
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