Vitas-M small molecule compound
cyclopentyl 4-(2-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402780
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1F)C(=O)CC(C2)c1cccs1)OC1CCCC1
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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 C26H26FNO3S MW 451.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26FNO3S/c1-15-23(26(30)31-17-7-2-3-8-17)24(18-9-4-5-10-19(18)27)25-20(28-15)13-16(14-21(25)29)22-11-6-12-32-22/h4-6,9-12,16-17,24,28H,2-3,7-8,13-14H2,1H3InChIKey
PTTMUMPIYPBVOZ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=CC=C4F)C(=O)OC5CCCC5
cyclopentyl4(2fluorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
cyclopentyl4(2fluorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC26H26FNO3Sc11523(26(30)3117723817)24(189451019(18)27)2520(2815)1316(1421(25)29)22116123222h4691216172428H23781314H21H3
MFCD02868489
ZINC000000781225
ZINC000000781228
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