Vitas-M small molecule compound
propyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK012898
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)F)C(=O)CC(C2)c1ccc(c(c1)OC)OC
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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 C28H30FNO5 MW 479.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30FNO5/c1-5-12-35-28(32)25-16(2)30-21-13-19(18-8-11-23(33-3)24(15-18)34-4)14-22(31)27(21)26(25)17-6-9-20(29)10-7-17/h6-11,15,19,26,30H,5,12-14H2,1-4H3InChIKey
SPSACZOTSDPBHK-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)F)C(=O)CC(C2)c1ccc(c(c1)OC)OC
CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)F)C(=O)CC(C2)C4=CC(=C(C=C4)OC)OC)C
InChI=1SC28H30FNO5c15123528(32)2516(2)30211319(1881123(333)24(1518)344)1422(31)27(21)26(25)176920(29)10717h61115192630H51214H214H3
MFCD02224236
propyl7(34dimethoxyphenyl)4(4fluorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl7(34dimethoxyphenyl)4(4fluorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK012898
ZINC000002072145
ZINC000002072148
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