Vitas-M small molecule compound
propan-2-yl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK368850
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1cccc(c1)F)C(=O)CC(C2)(C)C)C
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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 C22H26FNO3 MW 371.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26FNO3/c1-12(2)27-21(26)18-13(3)24-16-10-22(4,5)11-17(25)20(16)19(18)14-7-6-8-15(23)9-14/h6-9,12,19,24H,10-11H2,1-5H3InChIKey
OTKQFRJGQFSXJG-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)F)C(=O)OC(C)C
InChI=1SC22H26FNO3c112(2)2721(26)1813(3)24161022(45)1117(25)20(16)19(18)1476815(23)914h69121924H1011H215H3
MFCD00360723
propan2yl4(3fluorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(3fluorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000004692860
ZINC000019228214
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