Vitas-M small molecule compound
4-methoxybenzyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK001932
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)F)C(=O)CC(C2)(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 C27H28FNO4 MW 449.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28FNO4/c1-16-23(26(31)33-15-17-8-10-20(32-4)11-9-17)24(18-6-5-7-19(28)12-18)25-21(29-16)13-27(2,3)14-22(25)30/h5-12,24,29H,13-15H2,1-4H3InChIKey
NOCCFNHRVZGIOG-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl4(3fluorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
4methoxybenzyl4(3fluorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)F)C(=O)OCC4=CC=C(C=C4)OC
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)F)C(=O)CC(C2)(C)C
InChI=1SC27H28FNO4c11623(26(31)33151781020(324)11917)24(1865719(28)1218)2521(2916)1327(23)1422(25)30h5122429H1315H214H3
MFCD02375923
STK001932
ZINC000001204083
ZINC000001204087
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