Vitas-M small molecule compound
(5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-hydroxy-5-(2,3,4-trimethoxybenzylidene)pyrimidine-4,6(1H,5H)-dione
Catalog ID
STK559207
SMILES COc1c(ccc(c1OC)OC)/C=C/1\C(=O)N=C(N(C1=O)CCC1=CCCCC1)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 C22H26N2O6 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O6/c1-28-17-10-9-15(18(29-2)19(17)30-3)13-16-20(25)23-22(27)24(21(16)26)12-11-14-7-5-4-6-8-14/h7,9-10,13H,4-6,8,11-12H2,1-3H3,(H,23,25,27)/b16-13+InChIKey
CWERRWFAMMVYKZ-DTQAZKPQSA-NSynonyms
374095-72-4(5E)1(2(cyclohex1en1yl)ethyl)2hydroxy5(234trimethoxybenzylidene)pyrimidine46(1H5H)dione
(5E)1(2(CYCLOHEXEN1YL)ETHYL)5((234TRIMETHOXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
374095724
COC1=C(C(=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)CCC3=CCCCC3)OC)OC
COc1c(ccc(c1OC)OC)C=C1C(=O)N=C(N(C1=O)CCC1=CCCCC1)O
InChI=1SC22H26N2O6c1281710915(18(292)19(17)303)131620(25)2322(27)24(21(16)26)1211147546814h791013H4681112H213H3(H232527)b1613+
MFCD03817176
ZINC000002283580
ZINC02283580
ZINC2283580
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