Vitas-M small molecule compound
(5E)-1-(3,5-dichlorophenyl)-5-(4-methoxy-2,5-dimethylbenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL368152
SMILES COc1cc(C)c(cc1C)/C=C/1\C(=O)NC(=S)N(C1=O)c1cc(Cl)cc(c1)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 C20H16Cl2N2O3S MW 435.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16Cl2N2O3S/c1-10-5-17(27-3)11(2)4-12(10)6-16-18(25)23-20(28)24(19(16)26)15-8-13(21)7-14(22)9-15/h4-9H,1-3H3,(H,23,25,28)/b16-6+InChIKey
ZHUHAZBYCMGSIU-OMCISZLKSA-NSynonyms
(5E)1(35dichlorophenyl)5((4methoxy25dimethylphenyl)methylidene)2sulfanylidene13diazinane46dione
(5E)1(35dichlorophenyl)5(4methoxy25dimethylbenzylidene)2thioxodihydropyrimidine46(1H5H)dione
CC1=CC(=C(C=C1C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C)OC
COc1cc(C)c(cc1C)C=C1C(=O)NC(=S)N(C1=O)c1cc(Cl)cc(c1)Cl
InChI=1SC20H16Cl2N2O3Sc110517(273)11(2)412(10)61618(25)2320(28)24(19(16)26)15813(21)714(22)915h49H13H3(H232528)b166+
MFCD28952054
ZINC000096234386
ZINC96234386
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