Vitas-M small molecule compound
diethyl 4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate
Catalog ID
STL357400
SMILES CCOC(=O)C1C(=O)CC(C(C1/C=C/c1ccccc1)C(=O)OCC)(C)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 C21H26O6 MW 374.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26O6/c1-4-26-19(23)17-15(12-11-14-9-7-6-8-10-14)18(20(24)27-5-2)21(3,25)13-16(17)22/h6-12,15,17-18,25H,4-5,13H2,1-3H3/b12-11+InChIKey
WILIVLNMUBRNBN-VAWYXSNFSA-NSynonyms
5791-81-1(E)diethyl4hydroxy4methyl6oxo2styrylcyclohexane13dicarboxylate
5791811
CCOC(=O)C1C(=O)CC(C(C1C=Cc1ccccc1)C(=O)OCC)(C)O
CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C=CC2=CC=CC=C2
CYCLOHEXANE13DICARBOXYLICACID6HYDROXY6METHYL4OXO2(2PHENYLETHENYL)DIETYLESTER
DIETHYL4HYDROXY4METHYL6OXO2((E)2PHENYLETHENYL)13CYCLOHEXANEDICARBOXYLATE
diethyl4hydroxy4methyl6oxo2((E)2phenylethenyl)cyclohexane13dicarboxylate
InChI=1SC21H26O6c142619(23)1715(12111497681014)18(20(24)2752)21(325)1316(17)22h61215171825H4513H213H3b1211+
MFCD01032024
ZINC000004729148
ZINC000012436560
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