Vitas-M small molecule compound
2-phenoxyethyl 4-(4-chlorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK074100
SMILES Clc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCCOc1ccccc1
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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/c1-18-26(29(33)35-14-13-34-22-6-3-2-4-7-22)27(19-9-11-21(30)12-10-19)28-23(31-18)16-20(17-24(28)32)25-8-5-15-36-25/h2-12,15,20,27,31H,13-14,16-17H2,1H3InChIKey
VCEZUAUWOKWQIM-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(4chlorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2phenoxyethyl4(4chlorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=C(C=C4)Cl)C(=O)OCCOC5=CC=CC=C5
Clc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCCOc1ccccc1
InChI=1SC29H26ClNO4Sc11826(29(33)35141334226324722)27(1991121(30)121019)2823(3118)1620(1724(28)32)2585153625h21215202731H13141617H21H3
MFCD03370942
STK074100
ZINC000002771884
ZINC000002771887
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