Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 7-(furan-2-yl)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406070
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1)C(F)(F)F)C(=O)CC(C2)c1ccco1)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 C27H26F3NO5 MW 501.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26F3NO5/c1-15-23(26(33)36-14-19-7-3-9-34-19)24(16-5-2-6-18(11-16)27(28,29)30)25-20(31-15)12-17(13-21(25)32)22-8-4-10-35-22/h2,4-6,8,10-11,17,19,24,31H,3,7,9,12-14H2,1H3InChIKey
SWAGUYYZZPISGD-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CO3)C4=CC(=CC=C4)C(F)(F)F)C(=O)OCC5CCCO5
InChI=1SC27H26F3NO5c11523(26(33)3614197393419)24(1652618(1116)27(2829)30)2520(3115)1217(1321(25)32)2284103522h2468101117192431H3791214H21H3
MFCD04216461
oxolan2ylmethyl7(furan2yl)2methyl5oxo4(3(trifluoromethyl)phenyl)4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl7(furan2yl)2methyl5oxo4(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
ZINC000100472304
ZINC000100472312
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