Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(4-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402776
SMILES Fc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)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)32-14-19-4-2-10-31-19)24(16-6-8-18(27)9-7-16)25-20(28-15)12-17(13-21(25)29)22-5-3-11-33-22/h3,5-9,11,17,19,24,28H,2,4,10,12-14H2,1H3InChIKey
UJOAYURSDMWSAN-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=C(C=C4)F)C(=O)OCC5CCCO5
InChI=1SC26H26FNO4Sc11523(26(30)32141942103119)24(166818(27)9716)2520(2815)1217(1321(25)29)2253113322h3591117192428H24101214H21H3
MFCD02868484
oxolan2ylmethyl4(4fluorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(4fluorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000000781220
ZINC000033936027
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