Vitas-M small molecule compound
cycloheptyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402915
SMILES Clc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)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 C26H32ClNO3 MW 442.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32ClNO3/c1-16-22(25(30)31-19-8-6-4-5-7-9-19)23(17-10-12-18(27)13-11-17)24-20(28-16)14-26(2,3)15-21(24)29/h10-13,19,23,28H,4-9,14-15H2,1-3H3InChIKey
IYEJGRKWWBTDBZ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)Cl)C(=O)OC4CCCCCC4
cycloheptyl4(4chlorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cycloheptyl4(4chlorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC26H32ClNO3c11622(25(30)311986457919)23(17101218(27)131117)2420(2816)1426(23)1521(24)29h1013192328H491415H213H3
MFCD03370947
ZINC000002727237
ZINC000002727238
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