Vitas-M small molecule compound
2-phenylethyl 7-(4-chlorophenyl)-4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK022275
SMILES CCCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OCCc1ccccc1
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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 C35H36ClNO5 MW 586.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36ClNO5/c1-4-17-41-30-15-12-25(21-31(30)40-3)33-32(35(39)42-18-16-23-8-6-5-7-9-23)22(2)37-28-19-26(20-29(38)34(28)33)24-10-13-27(36)14-11-24/h5-15,21,26,33,37H,4,16-20H2,1-3H3InChIKey
NHSDRWCENVXPMA-UHFFFAOYSA-NSynonyms
2phenylethyl7(4chlorophenyl)4(3methoxy4propoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl7(4chlorophenyl)4(3methoxy4propoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OCCC5=CC=CC=C5)C)OC
CCCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OCCc1ccccc1
InChI=1SC35H36ClNO5c14174130151225(2131(30)403)3332(35(39)421816238657923)22(2)37281926(2029(38)34(28)33)24101327(36)141124h51521263337H41620H213H3
MFCD01446329
STK022275
ZINC000100561764
ZINC000100561771
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