Vitas-M small molecule compound
cyclohexyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK368881
SMILES O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)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 C26H31NO5 MW 437.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO5/c1-15-22(25(29)32-17-7-5-4-6-8-17)23(16-9-10-20-21(11-16)31-14-30-20)24-18(27-15)12-26(2,3)13-19(24)28/h9-11,17,23,27H,4-8,12-14H2,1-3H3InChIKey
RLXRHIKCZVKGSF-UHFFFAOYSA-NSynonyms
302561-41-7302561417
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)OC5CCCCC5
cyclohexyl4(13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
cyclohexyl4(benzo(d)(13)dioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
InChI=1SC26H31NO5c11522(25(29)32177546817)23(169102021(1116)31143020)2418(2715)1226(23)1319(24)28h911172327H481214H213H3
MFCD00330999
ZINC000019314570
ZINC000019314573
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