Vitas-M small molecule compound
cyclohexyl 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK087084
SMILES CN(c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCC1)C
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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 C27H36N2O3 MW 436.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N2O3/c1-17-23(26(31)32-20-9-7-6-8-10-20)24(18-11-13-19(14-12-18)29(4)5)25-21(28-17)15-27(2,3)16-22(25)30/h11-14,20,24,28H,6-10,15-16H2,1-5H3InChIKey
IYGDBOCEZSZGLS-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)N(C)C)C(=O)OC4CCCCC4
CN(c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCC1)C
cyclohexyl4(4(dimethylamino)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(4(dimethylamino)phenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC27H36N2O3c11723(26(31)322097681020)24(18111319(141218)29(4)5)2521(2817)1527(23)1622(25)30h1114202428H6101516H215H3
MFCD00771005
STK087084
ZINC000000666619
ZINC000000666628
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