Vitas-M small molecule compound

cyclohexyl 4-(6-chloro-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK050342
SMILES Clc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc2OCOc2cc1Cl)C(=O)OC1CCCCC1)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 C30H29Cl2NO5 MW 554.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29Cl2NO5/c1-16-27(30(35)38-20-5-3-2-4-6-20)28(21-13-25-26(14-22(21)32)37-15-36-25)29-23(33-16)11-18(12-24(29)34)17-7-9-19(31)10-8-17/h7-10,13-14,18,20,28,33H,2-6,11-12,15H2,1H3
InChIKey
YVPJEJAIOCYVNG-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC5=C(C=C4Cl)OCO5)C(=O)OC6CCCCC6
Clc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc2OCOc2cc1Cl)C(=O)OC1CCCCC1)C
cyclohexyl4(6chloro13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(6chloro13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H29Cl2NO5c11627(30(35)38205324620)28(21132526(1422(21)32)37153625)2923(3316)1118(1224(29)34)177919(31)10817h710131418202833H26111215H21H3
MFCD01823978
STK050342
ZINC000059706440
ZINC000059706446

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Available files

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