Vitas-M small molecule compound
2-methylpropyl 4-(4-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK024848
SMILES COc1ccc(cc1)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OCC(C)C)c1ccc(cc1)F
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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 C28H30FNO4 MW 463.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30FNO4/c1-16(2)15-34-28(32)25-17(3)30-23-13-20(18-7-11-22(33-4)12-8-18)14-24(31)27(23)26(25)19-5-9-21(29)10-6-19/h5-12,16,20,26,30H,13-15H2,1-4H3InChIKey
NGCTUNAKVUSSOH-UHFFFAOYSA-NSynonyms
2methylpropyl4(4fluorophenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methylpropyl4(4fluorophenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)F)C(=O)OCC(C)C
COc1ccc(cc1)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OCC(C)C)c1ccc(cc1)F
InChI=1SC28H30FNO4c116(2)153428(32)2517(3)30231320(1871122(334)12818)1424(31)27(23)26(25)195921(29)10619h51216202630H1315H214H3
MFCD01824301
STK024848
ZINC000100550556
ZINC000100550566
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