Vitas-M small molecule compound
(5E)-5-[4-(benzyloxy)-3,5-diiodobenzylidene]-1-(3,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170281
SMILES Cc1cc(C)cc(c1)N1C(=O)NC(=O)/C(=C\c2cc(I)c(c(c2)I)OCc2ccccc2)/C1=O
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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 C26H20I2N2O4 MW 678.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20I2N2O4/c1-15-8-16(2)10-19(9-15)30-25(32)20(24(31)29-26(30)33)11-18-12-21(27)23(22(28)13-18)34-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,29,31,33)/b20-11+InChIKey
GPCXCCHFRVTSFJ-RGVLZGJSSA-NSynonyms
(5E)5((35diiodo4phenylmethoxyphenyl)methylidene)1(35dimethylphenyl)13diazinane246trione
(5E)5(4(BENZYLOXY)35DIIODOBENZYLIDENE)1(35DIMETHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)I)OCC4=CC=CC=C4)I)C(=O)NC2=O)C
Cc1cc(C)cc(c1)N1C(=O)NC(=O)C(=Cc2cc(I)c(c(c2)I)OCc2ccccc2)C1=O
InChI=1SC26H20I2N2O4c115816(2)1019(915)3025(32)20(24(31)2926(30)33)11181221(27)23(22(28)1318)3414176435717h313H14H212H3(H293133)b2011+
MFCD01610298
ZINC000150384471
ZINC150384471
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