Vitas-M small molecule compound
cycloheptyl 4-(2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403052
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1F)C(=O)CC(C2)(C)C)OC1CCCCCC1
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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 C26H32FNO3 MW 425.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32FNO3/c1-16-22(25(30)31-17-10-6-4-5-7-11-17)23(18-12-8-9-13-19(18)27)24-20(28-16)14-26(2,3)15-21(24)29/h8-9,12-13,17,23,28H,4-7,10-11,14-15H2,1-3H3InChIKey
ZYTGHOYEGAMYNS-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3F)C(=O)OC4CCCCCC4
cycloheptyl4(2fluorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cycloheptyl4(2fluorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC26H32FNO3c11622(25(30)31171064571117)23(1812891319(18)27)2420(2816)1426(23)1521(24)29h891213172328H4710111415H213H3
MFCD03145121
ZINC000002788649
ZINC000002788650
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