Vitas-M small molecule compound
(2E)-N-{[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide
Catalog ID
STK065958
SMILES O=C(NC(=S)Nc1cc(ccc1C)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 C24H18N4O3S2 MW 474.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N4O3S2/c1-15-9-11-17(23-25-19-7-2-3-8-21(19)33-23)14-20(15)26-24(32)27-22(29)12-10-16-5-4-6-18(13-16)28(30)31/h2-14H,1H3,(H2,26,27,29,32)/b12-10+InChIKey
AQWYRCGBEFNELC-ZRDIBKRKSA-NSynonyms
(2E)N((5(13BENZOTHIAZOL2YL)2METHYLPHENYL)CARBAMOTHIOYL)3(3NITROPHENYL)PROP2ENAMIDE
(E)N((5(13BENZOTHIAZOL2YL)2METHYLPHENYL)CARBAMOTHIOYL)3(3NITROPHENYL)PROP2ENAMIDE
CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C=CC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC24H18N4O3S2c11591117(232519723821(19)3323)1420(15)2624(32)2722(29)12101654618(1316)28(30)31h214H1H3(H226272932)b1210+
MFCD03138040
O=C(NC(=S)Nc1cc(ccc1C)c1nc2c(s1)cccc2)C=Cc1cccc(c1)(N+)(=O)(O)
STK065958
ZINC000002847832
ZINC02847832
ZINC2847832
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