Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402841
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1F)C(=O)CC(C2)c1cccs1)OCC1CCCO1
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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 C26H26FNO4S MW 467.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26FNO4S/c1-15-23(26(30)32-14-17-6-4-10-31-17)24(18-7-2-3-8-19(18)27)25-20(28-15)12-16(13-21(25)29)22-9-5-11-33-22/h2-3,5,7-9,11,16-17,24,28H,4,6,10,12-14H2,1H3InChIKey
NAWKOZDWUHCCFG-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=CC=C4F)C(=O)OCC5CCCO5
InChI=1SC26H26FNO4Sc11523(26(30)32141764103117)24(18723819(18)27)2520(2815)1216(1321(25)29)2295113322h235791116172428H46101214H21H3
MFCD03036714
oxolan2ylmethyl4(2fluorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(2fluorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000019848164
ZINC000035961620
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