Vitas-M small molecule compound
(5Z)-1-(2,4-dichlorophenyl)-5-(2,4-diethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK196899
SMILES CCOc1cc(OCC)ccc1/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1Cl)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 C21H18Cl2N2O4S MW 465.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Cl2N2O4S/c1-3-28-14-7-5-12(18(11-14)29-4-2)9-15-19(26)24-21(30)25(20(15)27)17-8-6-13(22)10-16(17)23/h5-11H,3-4H2,1-2H3,(H,24,26,30)/b15-9-InChIKey
MGPZJJFSLGSZGE-DHDCSXOGSA-NSynonyms
(5Z)1(24DICHLOROPHENYL)5((24DIETHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)1(24DICHLOROPHENYL)5(24DIETHOXYBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC(=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=C(C=C(C=C3)Cl)Cl)OCC
CCOc1cc(OCC)ccc1C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1Cl)Cl
InChI=1SC21H18Cl2N2O4Sc1328147512(18(1114)2942)91519(26)2421(30)25(20(15)27)178613(22)1016(17)23h511H34H212H3(H242630)b159
MFCD02192502
ZINC000001195938
ZINC01195938
ZINC1195938
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