Vitas-M small molecule compound
(5E)-5-[2-(butan-2-yloxy)-3-methoxybenzylidene]-1-cyclohexylpyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK213577
SMILES CCC(Oc1c(cccc1OC)/C=C/1\C(=O)NC(=O)N(C1=O)C1CCCCC1)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 C22H28N2O5 MW 400.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O5/c1-4-14(2)29-19-15(9-8-12-18(19)28-3)13-17-20(25)23-22(27)24(21(17)26)16-10-6-5-7-11-16/h8-9,12-14,16H,4-7,10-11H2,1-3H3,(H,23,25,27)/b17-13+InChIKey
VJHYYRKZXMLMIX-GHRIWEEISA-NSynonyms
(5E)5((2BUTAN2YLOXY3METHOXYPHENYL)METHYLIDENE)1CYCLOHEXYL13DIAZINANE246TRIONE
(5E)5(2(BUTAN2YLOXY)3METHOXYBENZYLIDENE)1CYCLOHEXYLPYRIMIDINE246(1H3H5H)TRIONE
CCC(C)OC1=C(C=CC=C1OC)C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3
CCC(Oc1c(cccc1OC)C=C1C(=O)NC(=O)N(C1=O)C1CCCCC1)C
InChI=1SC22H28N2O5c1414(2)291915(981218(19)283)131720(25)2322(27)24(21(17)26)16106571116h89121416H471011H213H3(H232527)b1713+
MFCD05822095
ZINC000004783830
ZINC000004783832
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