Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(3,4-difluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK407287
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)F)F)C(=O)CC(C2)(C)C)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 C24H27F2NO4 MW 431.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27F2NO4/c1-13-20(23(29)31-12-15-5-4-8-30-15)21(14-6-7-16(25)17(26)9-14)22-18(27-13)10-24(2,3)11-19(22)28/h6-7,9,15,21,27H,4-5,8,10-12H2,1-3H3InChIKey
GAHAQEUZNKUXLL-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)F)F)C(=O)OCC4CCCO4
InChI=1SC24H27F2NO4c11320(23(29)3112155483015)21(146716(25)17(26)914)2218(2713)1024(23)1119(22)28h679152127H4581012H213H3
MFCD01823525
oxolan2ylmethyl4(34difluorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
tetrahydrofuran2ylmethyl4(34difluorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ZINC000000709261
ZINC000000709264
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