Vitas-M small molecule compound
cyclopentyl 4-(4-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402862
SMILES Fc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)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)31-19-5-2-3-6-19)24(16-8-10-18(27)11-9-16)25-20(28-15)13-17(14-21(25)29)22-7-4-12-32-22/h4,7-12,17,19,24,28H,2-3,5-6,13-14H2,1H3InChIKey
PGLJDOIQSCETFN-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=C(C=C4)F)C(=O)OC5CCCC5
cyclopentyl4(4fluorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
cyclopentyl4(4fluorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC26H26FNO3Sc11523(26(30)3119523619)24(1681018(27)11916)2520(2815)1317(1421(25)29)2274123222h471217192428H23561314H21H3
MFCD03370920
ZINC000000781290
ZINC000000781293
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