Vitas-M small molecule compound
(5Z)-1-[4-(butan-2-yl)phenyl]-5-(3,5-dichloro-4-hydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK003738
SMILES CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cc(Cl)c(c(c2)Cl)O)/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 C21H18Cl2N2O4 MW 433.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Cl2N2O4/c1-3-11(2)13-4-6-14(7-5-13)25-20(28)15(19(27)24-21(25)29)8-12-9-16(22)18(26)17(23)10-12/h4-11,26H,3H2,1-2H3,(H,24,27,29)/b15-8-InChIKey
QJVJQIMFLLKVTC-NVNXTCNLSA-NSynonyms
731832-41-0(5Z)1(4(BUTAN2YL)PHENYL)5(35DICHLORO4HYDROXYBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
(5Z)1(4BUTAN2YLPHENYL)5((35DICHLORO4HYDROXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(Z)1(4(secbutyl)phenyl)5(35dichloro4hydroxybenzylidene)pyrimidine246(1H3H5H)trione
731832410
CCC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Cl)O)Cl)C(=O)NC2=O
CCC(c1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(Cl)c(c(c2)Cl)O)C1=O)C
InChI=1SC21H18Cl2N2O4c1311(2)134614(7513)2520(28)15(19(27)2421(25)29)812916(22)18(26)17(23)1012h41126H3H212H3(H242729)b158
MFCD03680758
STK003738
ZINC000012285191
ZINC000012285192
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