Vitas-M small molecule compound
ethyl 4-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate
Catalog ID
STK148532
SMILES CCOC(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1cccc(c1)[N+](=O)[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 C19H17N3O5S MW 399.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O5S/c1-2-27-18(24)14-7-9-15(10-8-14)20-19(28)21-17(23)11-6-13-4-3-5-16(12-13)22(25)26/h3-12H,2H2,1H3,(H2,20,21,23,28)/b11-6+InChIKey
VTDZTUYDZLLHEQ-IZZDOVSWSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=CC=C2)(N+)(=O)(O)
CCOC(=O)c1ccc(cc1)NC(=S)NC(=O)C=Cc1cccc(c1)(N+)(=O)(O)
ETHYL4((((2E)3(3NITROPHENYL)PROP2ENOYL)CARBAMOTHIOYL)AMINO)BENZOATE
ETHYL4(((E)3(3NITROPHENYL)PROP2ENOYL)CARBAMOTHIOYLAMINO)BENZOATE
InChI=1SC19H17N3O5Sc122718(24)147915(10814)2019(28)2117(23)1161343516(1213)22(25)26h312H2H21H3(H220212328)b116+
MFCD03138253
ZINC000001182521
ZINC01182521
ZINC1182521
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