Vitas-M small molecule compound
cyclohexyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363794
SMILES CCOc1cc(cc(c1O)Cl)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)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 C31H34ClNO5 MW 536.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34ClNO5/c1-3-37-26-17-21(14-23(32)30(26)35)28-27(31(36)38-22-12-8-5-9-13-22)18(2)33-24-15-20(16-25(34)29(24)28)19-10-6-4-7-11-19/h4,6-7,10-11,14,17,20,22,28,33,35H,3,5,8-9,12-13,15-16H2,1-2H3InChIKey
IAZBIUXATMFCNK-UHFFFAOYSA-NSynonyms
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OC5CCCCC5)C)Cl)O
cyclohexyl4(3chloro5ethoxy4hydroxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclohexyl4(3chloro5ethoxy4hydroxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H34ClNO5c1337261721(1423(32)30(26)35)2827(31(36)3822128591322)18(2)33241520(1625(34)29(24)28)19106471119h467101114172022283335H358912131516H212H3
MFCD01824453
ZINC000100576023
ZINC000100576026
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