Vitas-M small molecule compound
ethyl (5Z)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-[(phenylcarbonyl)amino]-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL374999
SMILES CCOC(=O)C1=C(S/C(=C\c2ccc(o2)c2ccccc2[N+](=O)[O-])/C1=O)NC(=O)c1ccccc1
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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 C25H18N2O7S MW 490.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N2O7S/c1-2-33-25(30)21-22(28)20(35-24(21)26-23(29)15-8-4-3-5-9-15)14-16-12-13-19(34-16)17-10-6-7-11-18(17)27(31)32/h3-14H,2H2,1H3,(H,26,29)/b20-14-InChIKey
BUQIZIWVKCVNCP-ZHZULCJRSA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC=C(O2)C3=CC=CC=C3(N+)(=O)(O))C1=O)NC(=O)C4=CC=CC=C4
CCOC(=O)C1=C(SC(=Cc2ccc(o2)c2ccccc2(N+)(=O)(O))C1=O)NC(=O)c1ccccc1
ETHYL(5Z)2BENZAMIDO5((5(2NITROPHENYL)FURAN2YL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5((5(2nitrophenyl)furan2yl)methylidene)4oxo2((phenylcarbonyl)amino)45dihydrothiophene3carboxylate
InChI=1SC25H18N2O7Sc123325(30)2122(28)20(3524(21)2623(29)158435915)1416121319(3416)1710671118(17)27(31)32h314H2H21H3(H2629)b2014
MFCD03720720
ZINC000009296113
ZINC09296113
ZINC9296113
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