Vitas-M small molecule compound
(2E)-N-[(3-acetylphenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
Catalog ID
STK393305
SMILES O=C(NC(=S)Nc1cccc(c1)C(=O)C)/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 C18H15N3O4S MW 369.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O4S/c1-12(22)14-5-3-6-15(11-14)19-18(26)20-17(23)9-8-13-4-2-7-16(10-13)21(24)25/h2-11H,1H3,(H2,19,20,23,26)/b9-8+InChIKey
ZCAIWQBUMRTIKV-CMDGGOBGSA-NSynonyms
(2E)N(((3ACETYLPHENYL)AMINO)THIOXOMETHYL)3(3NITROPHENYL)PROP2ENAMIDE
(2E)N((3acetylphenyl)carbamothioyl)3(3nitrophenyl)prop2enamide
(E)N((3ACETYLPHENYL)CARBAMOTHIOYL)3(3NITROPHENYL)PROP2ENAMIDE
CC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC18H15N3O4Sc112(22)1453615(1114)1918(26)2017(23)981342716(1013)21(24)25h211H1H3(H219202326)b98+
MFCD03037519
O=C(NC(=S)Nc1cccc(c1)C(=O)C)C=Cc1cccc(c1)(N+)(=O)(O)
ZINC000001179981
ZINC01179981
ZINC1179981
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