Vitas-M small molecule compound
(5E)-5-(3-chloro-4,5-diethoxybenzylidene)-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190194
SMILES CCOc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c2cc(C)cc(c2)C)cc(c1OCC)Cl
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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 C23H23ClN2O4S MW 458.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN2O4S/c1-5-29-19-12-15(11-18(24)20(19)30-6-2)10-17-21(27)25-23(31)26(22(17)28)16-8-13(3)7-14(4)9-16/h7-12H,5-6H2,1-4H3,(H,25,27,31)/b17-10+InChIKey
QQVCOEKABMSSSK-LICLKQGHSA-NSynonyms
(5E)5((3CHLORO45DIETHOXYPHENYL)METHYLIDENE)1(35DIMETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(3CHLORO45DIETHOXYBENZYLIDENE)1(35DIMETHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC(=C3)C)C)Cl)OCC
CCOc1cc(C=C2C(=O)NC(=S)N(C2=O)c2cc(C)cc(c2)C)cc(c1OCC)Cl
InChI=1SC23H23ClN2O4Sc1529191215(1118(24)20(19)3062)101721(27)2523(31)26(22(17)28)16813(3)714(4)916h712H56H214H3(H252731)b1710+
MFCD03712582
ZINC000002811582
ZINC02811582
ZINC2811582
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