Vitas-M small molecule compound
benzyl 4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK072055
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1Cl)Cl)C(=O)CC(C2)(C)C)OCc1ccccc1
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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 C26H25Cl2NO3 MW 470.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25Cl2NO3/c1-15-21(25(31)32-14-16-8-5-4-6-9-16)22(17-10-7-11-18(27)24(17)28)23-19(29-15)12-26(2,3)13-20(23)30/h4-11,22,29H,12-14H2,1-3H3InChIKey
MCVJWFNBRQOJOE-UHFFFAOYSA-NSynonyms
5475-57-05475570
benzyl4(23dichlorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(23dichlorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C(=CC=C3)Cl)Cl)C(=O)OCC4=CC=CC=C4
InChI=1SC26H25Cl2NO3c11521(25(31)3214168546916)22(171071118(27)24(17)28)2319(2915)1226(23)1320(23)30h4112229H1214H213H3
MFCD00753028
O=C(C1=C(C)NC2=C(C1c1cccc(c1Cl)Cl)C(=O)CC(C2)(C)C)OCc1ccccc1
STK072055
ZINC000002801433
ZINC000019535628
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