Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 2-methyl-5-oxo-7-(thiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403284
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(cc1)C(F)(F)F)C(=O)CC(C2)c1cccs1)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 C27H26F3NO4S MW 517.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26F3NO4S/c1-15-23(26(33)35-14-19-4-2-10-34-19)24(16-6-8-18(9-7-16)27(28,29)30)25-20(31-15)12-17(13-21(25)32)22-5-3-11-36-22/h3,5-9,11,17,19,24,31H,2,4,10,12-14H2,1H3InChIKey
HFIQWQANEHIAQI-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)OCC5CCCO5
InChI=1SC27H26F3NO4Sc11523(26(33)35141942103419)24(166818(9716)27(2829)30)2520(3115)1217(1321(25)32)2253113622h3591117192431H24101214H21H3
MFCD03312523
oxolan2ylmethyl2methyl5oxo7thiophen2yl4(4(trifluoromethyl)phenyl)4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl2methyl5oxo7(thiophen2yl)4(4(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
ZINC000019848854
ZINC000035839821
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