Vitas-M small molecule compound
3-cyclopentyl 6-methyl 4-(3-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404701
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1cccc(c1)O)C(=C(N2)C)C(=O)OC1CCCC1
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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 C25H29NO6 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO6/c1-13-11-18-22(23(28)19(13)24(29)31-3)21(15-7-6-8-16(27)12-15)20(14(2)26-18)25(30)32-17-9-4-5-10-17/h6-8,12-13,17,19,21,26-27H,4-5,9-11H2,1-3H3InChIKey
DXBGEEHCVDWSJQ-UHFFFAOYSA-NSynonyms
3cyclopentyl6methyl4(3hydroxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Ocyclopentyl6Omethyl4(3hydroxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC3CCCC3)C4=CC(=CC=C4)O)C(=O)C1C(=O)OC
InChI=1SC25H29NO6c113111822(23(28)19(13)24(29)313)21(1576816(27)1215)20(14(2)2618)25(30)32179451017h6812131719212627H45911H213H3
MFCD05238822
ZINC000013483052
ZINC000239038771
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