Vitas-M small molecule compound
(5Z)-5-[4-(benzyloxy)benzylidene]-1-(4-chloro-2,5-dimethoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL484415
SMILES COc1cc(Cl)c(cc1N1C(=O)NC(=O)/C(=C/c2ccc(cc2)OCc2ccccc2)/C1=O)OC
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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 C26H21ClN2O6 MW 492.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN2O6/c1-33-22-14-21(23(34-2)13-20(22)27)29-25(31)19(24(30)28-26(29)32)12-16-8-10-18(11-9-16)35-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,28,30,32)/b19-12-InChIKey
WTWGAGLRYALEFV-UNOMPAQXSA-NSynonyms
(5Z)1(4chloro25dimethoxyphenyl)5((4phenylmethoxyphenyl)methylidene)13diazinane246trione
(5Z)5(4(benzyloxy)benzylidene)1(4chloro25dimethoxyphenyl)pyrimidine246(1H3H5H)trione
COC1=CC(=C(C=C1N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)NC2=O)OC)Cl
COc1cc(Cl)c(cc1N1C(=O)NC(=O)C(=Cc2ccc(cc2)OCc2ccccc2)C1=O)OC
InChI=1SC26H21ClN2O6c133221421(23(342)1320(22)27)2925(31)19(24(30)2826(29)32)121681018(11916)3515176435717h314H15H212H3(H283032)b1912
MFCD30713503
ZINC000006603340
ZINC6603340
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