Vitas-M small molecule compound
cyclopentyl 2-methyl-5-oxo-7-(thiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402868
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(cc1)C(F)(F)F)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 C27H26F3NO3S MW 501.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26F3NO3S/c1-15-23(26(33)34-19-5-2-3-6-19)24(16-8-10-18(11-9-16)27(28,29)30)25-20(31-15)13-17(14-21(25)32)22-7-4-12-35-22/h4,7-12,17,19,24,31H,2-3,5-6,13-14H2,1H3InChIKey
DRUVDEVQGSPFBD-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=C(C=C4)C(F)(F)F)C(=O)OC5CCCC5
cyclopentyl2methyl5oxo7(thiophen2yl)4(4(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
cyclopentyl2methyl5oxo7thiophen2yl4(4(trifluoromethyl)phenyl)4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H26F3NO3Sc11523(26(33)3419523619)24(1681018(11916)27(2829)30)2520(3115)1317(1421(25)32)2274123522h471217192431H23561314H21H3
MFCD03231134
ZINC000000717678
ZINC000000717681
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