Vitas-M small molecule compound
methyl 4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]benzoate
Catalog ID
STK150143
SMILES COC(=O)c1ccc(cc1)C(C1=C(O)CC(CC1=O)(C)C)C1=C(O)CC(CC1=O)(C)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 C25H30O6 MW 426.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30O6/c1-24(2)10-16(26)21(17(27)11-24)20(14-6-8-15(9-7-14)23(30)31-5)22-18(28)12-25(3,4)13-19(22)29/h6-9,20,26,28H,10-13H2,1-5H3InChIKey
JRFQRNYRDJIERT-UHFFFAOYSA-NSynonyms
690991-22-1690991221
CC1(CC(=C(C(=O)C1)C(C2=CC=C(C=C2)C(=O)OC)C3=C(CC(CC3=O)(C)C)O)O)C
InChI=1SC25H30O6c124(2)1016(26)21(17(27)1124)20(146815(9714)23(30)315)2218(28)1225(34)1319(22)29h69202628H1013H215H3
METHYL4(BIS(2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)METHYL)BENZOATE
METHYL4(BIS(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)METHYL)BENZOATE
MFCD03719793
ZINC000100758000
ZINC100758000
Check stock
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Check stock on Vitas-MAvailable files
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