Vitas-M small molecule compound
cyclopentyl 4-(3-chloro-4-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406885
SMILES COc1ccc(cc1Cl)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC1CCCC1
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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 C29H30ClNO4 MW 492.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30ClNO4/c1-17-26(29(33)35-21-10-6-7-11-21)27(19-12-13-25(34-2)22(30)14-19)28-23(31-17)15-20(16-24(28)32)18-8-4-3-5-9-18/h3-5,8-9,12-14,20-21,27,31H,6-7,10-11,15-16H2,1-2H3InChIKey
ZKQVCXVBDTYCEA-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)Cl)C(=O)OC5CCCC5
cyclopentyl4(3chloro4methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclopentyl4(3chloro4methoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H30ClNO4c11726(29(33)352110671121)27(19121325(342)22(30)1419)2823(3117)1520(1624(28)32)188435918h3589121420212731H6710111516H212H3
MFCD06000481
ZINC000001075213
ZINC000001075227
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