Vitas-M small molecule compound
4-methoxybenzyl 4-(4-chlorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK059917
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)c1cccs1
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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 C29H26ClNO4S MW 520.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClNO4S/c1-17-26(29(33)35-16-18-5-11-22(34-2)12-6-18)27(19-7-9-21(30)10-8-19)28-23(31-17)14-20(15-24(28)32)25-4-3-13-36-25/h3-13,20,27,31H,14-16H2,1-2H3InChIKey
NOHXMHOSCKNPCA-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl4(4chlorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl4(4chlorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=C(C=C4)Cl)C(=O)OCC5=CC=C(C=C5)OC
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)c1cccs1
InChI=1SC29H26ClNO4Sc11726(29(33)35161851122(342)12618)27(197921(30)10819)2823(3117)1420(1524(28)32)2543133625h313202731H1416H212H3
MFCD03371029
STK059917
ZINC000001074817
ZINC000001074826
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