Vitas-M small molecule compound
ethyl (5E)-5-(3-nitrobenzylidene)-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK074751
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C/c2cccc(c2)[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(11-12-4-3-5-15(10-12)23(28)29)31-19(17)21-13-6-8-14(9-7-13)22(26)27/h3-11,21H,2H2,1H3/b16-11+InChIKey
BJDDSGBDVXQNHH-LFIBNONCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)(N+)(=O)(O))SC(=Cc2cccc(c2)(N+)(=O)(O))C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=CC=C2)(N+)(=O)(O))C1=O)NC3=CC=C(C=C3)(N+)(=O)(O)
ethyl(5E)2(4nitroanilino)5((3nitrophenyl)methylidene)4oxothiophene3carboxylate
ETHYL(5E)5(3NITROBENZYLIDENE)2((4NITROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC20H15N3O7Sc123020(25)1718(24)16(111243515(1012)23(28)29)3119(17)21136814(9713)22(26)27h31121H2H21H3b1611+
MFCD08673527
STK074751
ZINC000100209143
ZINC100209143
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