Vitas-M small molecule compound
(5E)-1-[4-(butan-2-yl)phenyl]-5-(3,5-dichloro-2-hydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL374937
SMILES CCC(c1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(Cl)cc(c2O)Cl)/C1=O)C
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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 C21H18Cl2N2O3S MW 449.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Cl2N2O3S/c1-3-11(2)12-4-6-15(7-5-12)25-20(28)16(19(27)24-21(25)29)9-13-8-14(22)10-17(23)18(13)26/h4-11,26H,3H2,1-2H3,(H,24,27,29)/b16-9+InChIKey
ZIQIAFZHIZZHMR-CXUHLZMHSA-NSynonyms
(5E)1(4(butan2yl)phenyl)5(35dichloro2hydroxybenzylidene)2thioxodihydropyrimidine46(1H5H)dione
(5E)1(4butan2ylphenyl)5((35dichloro2hydroxyphenyl)methylidene)2sulfanylidene13diazinane46dione
CCC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=CC(=C3O)Cl)Cl)C(=O)NC2=S
CCC(c1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(Cl)cc(c2O)Cl)C1=O)C
InChI=1SC21H18Cl2N2O3Sc1311(2)124615(7512)2520(28)16(19(27)2421(25)29)913814(22)1017(23)18(13)26h41126H3H212H3(H242729)b169+
MFCD03030826
ZINC000009295830
ZINC000009295831
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