Vitas-M small molecule compound
cyclohexyl 4-(3,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK368880
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)Cl)Cl)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 C25H29Cl2NO3 MW 462.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29Cl2NO3/c1-14-21(24(30)31-16-7-5-4-6-8-16)22(15-9-10-17(26)18(27)11-15)23-19(28-14)12-25(2,3)13-20(23)29/h9-11,16,22,28H,4-8,12-13H2,1-3H3InChIKey
DTHYISLWHFINLH-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)Cl)Cl)C(=O)OC4CCCCC4
cyclohexyl4(34dichlorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(34dichlorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC25H29Cl2NO3c11421(24(30)31167546816)22(1591017(26)18(27)1115)2319(2814)1225(23)1320(23)29h911162228H481213H213H3
MFCD00330997
ZINC000003100778
ZINC000003100779
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