Vitas-M small molecule compound
(5E)-5-[4-(butan-2-yloxy)-3-ethoxy-5-iodobenzylidene]-1-cyclohexylpyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK213575
SMILES CCOc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)C2CCCCC2)cc(c1OC(CC)C)I
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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 C23H29IN2O5 MW 540.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29IN2O5/c1-4-14(3)31-20-18(24)12-15(13-19(20)30-5-2)11-17-21(27)25-23(29)26(22(17)28)16-9-7-6-8-10-16/h11-14,16H,4-10H2,1-3H3,(H,25,27,29)/b17-11+InChIKey
PHKRLDNZBIESHR-GZTJUZNOSA-NSynonyms
(5E)5((4BUTAN2YLOXY3ETHOXY5IODOPHENYL)METHYLIDENE)1CYCLOHEXYL13DIAZINANE246TRIONE
(5E)5(4(BUTAN2YLOXY)3ETHOXY5IODOBENZYLIDENE)1CYCLOHEXYLPYRIMIDINE246(1H3H5H)TRIONE
CCC(C)OC1=C(C=C(C=C1I)C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)OCC
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)C2CCCCC2)cc(c1OC(CC)C)I
InChI=1SC23H29IN2O5c1414(3)312018(24)1215(1319(20)3052)111721(27)2523(29)26(22(17)28)1697681016h111416H410H213H3(H252729)b1711+
MFCD05822077
ZINC000097961736
ZINC000097961738
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