Vitas-M small molecule compound

butan-2-yl 7-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK005529
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Cl)Cl)C(=O)CC(C2)c1ccc(cc1)Cl)C

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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 C27H26Cl3NO3 MW 518.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26Cl3NO3/c1-4-14(2)34-27(33)24-15(3)31-22-12-18(16-5-8-19(28)9-6-16)13-23(32)26(22)25(24)17-7-10-20(29)21(30)11-17/h5-11,14,18,25,31H,4,12-13H2,1-3H3
InChIKey
PVTKLYMWOWPFFV-UHFFFAOYSA-N
Synonyms
5725-42-8
5725428
butan2yl7(4chlorophenyl)4(34dichlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butan2yl7(4chlorophenyl)4(34dichlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)Cl)Cl)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Cl)Cl)C(=O)CC(C2)c1ccc(cc1)Cl)C
InChI=1SC27H26Cl3NO3c1414(2)3427(33)2415(3)31221218(165819(28)9616)1323(32)26(22)25(24)1771020(29)21(30)1117h51114182531H41213H213H3
MFCD01445761
STK005529
ZINC000002758006
ZINC000035973767

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Available files

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