Vitas-M small molecule compound
(5Z)-5-[4-(benzyloxy)-3,5-diiodobenzylidene]-1-(4-ethoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK175214
SMILES CCOc1ccc(cc1)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 C26H20I2N2O5 MW 694.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20I2N2O5/c1-2-34-19-10-8-18(9-11-19)30-25(32)20(24(31)29-26(30)33)12-17-13-21(27)23(22(28)14-17)35-15-16-6-4-3-5-7-16/h3-14H,2,15H2,1H3,(H,29,31,33)/b20-12-InChIKey
GTTNWIBQHPEXOF-NDENLUEZSA-NSynonyms
(5Z)5((35DIIODO4PHENYLMETHOXYPHENYL)METHYLIDENE)1(4ETHOXYPHENYL)13DIAZINANE246TRIONE
(5Z)5(4(BENZYLOXY)35DIIODOBENZYLIDENE)1(4ETHOXYPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)I)OCC4=CC=CC=C4)I)C(=O)NC2=O
CCOc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(I)c(c(c2)I)OCc2ccccc2)C1=O
InChI=1SC26H20I2N2O5c12341910818(91119)3025(32)20(24(31)2926(30)33)12171321(27)23(22(28)1417)3515166435716h314H215H21H3(H293133)b2012
MFCD06663736
ZINC000097960603
ZINC97960603
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