Vitas-M small molecule compound
(5Z)-5-(2-chloro-4,5-dimethoxybenzylidene)-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK061828
SMILES COc1cc(Cl)c(cc1OC)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
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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 C19H14ClFN2O4S MW 420.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14ClFN2O4S/c1-26-15-8-10(14(20)9-16(15)27-2)7-13-17(24)22-19(28)23(18(13)25)12-5-3-11(21)4-6-12/h3-9H,1-2H3,(H,22,24,28)/b13-7-InChIKey
CCJDQMBISQQCMV-QPEQYQDCSA-NSynonyms
(5Z)5((2chloro45dimethoxyphenyl)methylidene)1(4fluorophenyl)2sulfanylidene13diazinane46dione
(5Z)5(2CHLORO45DIMETHOXYBENZYLIDENE)1(4FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=C(C=C(C(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)Cl)OC
COc1cc(Cl)c(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
InChI=1SC19H14ClFN2O4Sc12615810(14(20)916(15)272)71317(24)2219(28)23(18(13)25)125311(21)4612h39H12H3(H222428)b137
MFCD04528305
STK061828
ZINC000009259399
ZINC09259399
ZINC9259399
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