Vitas-M small molecule compound
cyclohexyl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK015537
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1Cl)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 C25H30ClNO3 MW 427.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30ClNO3/c1-15-21(24(29)30-16-9-5-4-6-10-16)22(17-11-7-8-12-18(17)26)23-19(27-15)13-25(2,3)14-20(23)28/h7-8,11-12,16,22,27H,4-6,9-10,13-14H2,1-3H3InChIKey
LXLRCOUHSWCKQG-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3Cl)C(=O)OC4CCCCC4
cyclohexyl4(2chlorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(2chlorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC25H30ClNO3c11521(24(29)301695461016)22(1711781218(17)26)2319(2715)1325(23)1420(23)28h781112162227H469101314H213H3
MFCD00753110
O=C(C1=C(C)NC2=C(C1c1ccccc1Cl)C(=O)CC(C2)(C)C)OC1CCCCC1
STK015537
ZINC000002055225
ZINC000002055226
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