Vitas-M small molecule compound
3-cycloheptyl 6-methyl 4-(4-ethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404434
SMILES CCOc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)C(C(C2)C)C(=O)OC)C(=O)OC1CCCCCC1
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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 C29H37NO6 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37NO6/c1-5-35-20-14-12-19(13-15-20)25-24(29(33)36-21-10-8-6-7-9-11-21)18(3)30-22-16-17(2)23(28(32)34-4)27(31)26(22)25/h12-15,17,21,23,25,30H,5-11,16H2,1-4H3InChIKey
OVJPPXCLWMJCQJ-UHFFFAOYSA-NSynonyms
3cycloheptyl6methyl4(4ethoxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Ocycloheptyl6Omethyl4(4ethoxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCOC1=CC=C(C=C1)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OC4CCCCCC4)C
InChI=1SC29H37NO6c153520141219(131520)2524(29(33)36211086791121)18(3)30221617(2)23(28(32)344)27(31)26(22)25h12151721232530H51116H214H3
MFCD04226210
ZINC000001460069
ZINC000020176401
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