Vitas-M small molecule compound
3-cyclohexyl 6-methyl 4-(3-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK405011
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1cccc(c1)O)C(=C(N2)C)C(=O)OC1CCCCC1
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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 C26H31NO6 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO6/c1-14-12-19-23(24(29)20(14)25(30)32-3)22(16-8-7-9-17(28)13-16)21(15(2)27-19)26(31)33-18-10-5-4-6-11-18/h7-9,13-14,18,20,22,27-28H,4-6,10-12H2,1-3H3InChIKey
ILGMGWYBJLCLAI-UHFFFAOYSA-NSynonyms
3cyclohexyl6methyl4(3hydroxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Ocyclohexyl6Omethyl4(3hydroxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC3CCCCC3)C4=CC(=CC=C4)O)C(=O)C1C(=O)OC
InChI=1SC26H31NO6c114121923(24(29)20(14)25(30)323)22(1687917(28)1316)21(15(2)2719)26(31)3318105461118h7913141820222728H461012H213H3
MFCD06194085
ZINC000012319992
ZINC000239310450
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