Vitas-M small molecule compound
2-methylpropyl 4-(5-bromo-2-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402856
SMILES CC(COC(=O)C1=C(C)NC2=C(C1c1cc(Br)ccc1F)C(=O)CC(C2)c1cccs1)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 C25H25BrFNO3S MW 518.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25BrFNO3S/c1-13(2)12-31-25(30)22-14(3)28-19-9-15(21-5-4-8-32-21)10-20(29)24(19)23(22)17-11-16(26)6-7-18(17)27/h4-8,11,13,15,23,28H,9-10,12H2,1-3H3InChIKey
KREKJOJEBLKKAI-UHFFFAOYSA-NSynonyms
2methylpropyl4(5bromo2fluorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2methylpropyl4(5bromo2fluorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=C(C=CC(=C4)Br)F)C(=O)OCC(C)C
InChI=1SC25H25BrFNO3Sc113(2)123125(30)2214(3)2819915(215483221)1020(29)24(19)23(22)171116(26)6718(17)27h481113152328H91012H213H3
MFCD03370915
ZINC000001434626
ZINC000001434629
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