Vitas-M small molecule compound
cyclohexyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372336
SMILES COc1cc(cc(c1O)Cl)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)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 C26H32ClNO5 MW 474.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32ClNO5/c1-14-21(25(31)33-16-8-6-5-7-9-16)22(15-10-17(27)24(30)20(11-15)32-4)23-18(28-14)12-26(2,3)13-19(23)29/h10-11,16,22,28,30H,5-9,12-13H2,1-4H3InChIKey
ULOGFCDRQJWMRP-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Cl)O)OC)C(=O)OC4CCCCC4
cyclohexyl4(3chloro4hydroxy5methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(3chloro4hydroxy5methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC26H32ClNO5c11421(25(31)33168657916)22(151017(27)24(30)20(1115)324)2318(2814)1226(23)1319(23)29h101116222830H591213H214H3
MFCD00752933
ZINC000019535391
ZINC000019535393
Check stock
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Check stock on Vitas-MAvailable files
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