Vitas-M small molecule compound
(2E)-N-{[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide
Catalog ID
STK163833
SMILES O=C(NC(=S)Nc1cccc(c1)c1nc2c(s1)cccc2)/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 C23H16N4O3S2 MW 460.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N4O3S2/c28-21(12-11-15-5-3-8-18(13-15)27(29)30)26-23(31)24-17-7-4-6-16(14-17)22-25-19-9-1-2-10-20(19)32-22/h1-14H,(H2,24,26,28,31)/b12-11+InChIKey
QKADXLNUPBXFRS-VAWYXSNFSA-NSynonyms
(2E)N((3(13BENZOTHIAZOL2YL)PHENYL)CARBAMOTHIOYL)3(3NITROPHENYL)PROP2ENAMIDE
(E)N((3(13BENZOTHIAZOL2YL)PHENYL)CARBAMOTHIOYL)3(3NITROPHENYL)PROP2ENAMIDE
C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC(=S)NC(=O)C=CC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC23H16N4O3S2c2821(12111553818(1315)27(29)30)2623(31)241774616(1417)2225199121020(19)3222h114H(H224262831)b1211+
MFCD03138465
O=C(NC(=S)Nc1cccc(c1)c1nc2c(s1)cccc2)C=Cc1cccc(c1)(N+)(=O)(O)
ZINC000002863923
ZINC02863923
ZINC2863923
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