Vitas-M small molecule compound
methyl 4-{4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK956048
SMILES COC(=O)C1=C(C)NC2=C(C1c1sc(c(c1)COc1ccccc1Br)C)C(=O)CCC2
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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 C24H24BrNO4S MW 502.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24BrNO4S/c1-13-21(24(28)29-3)23(22-17(26-13)8-6-9-18(22)27)20-11-15(14(2)31-20)12-30-19-10-5-4-7-16(19)25/h4-5,7,10-11,23,26H,6,8-9,12H2,1-3H3InChIKey
GHUBRRXCXRIRDP-UHFFFAOYSA-NSynonyms
438216-63-8438216638
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(S3)C)COC4=CC=CC=C4Br)C(=O)OC
InChI=1SC24H24BrNO4Sc11321(24(28)293)23(2217(2613)86918(22)27)201115(14(2)3120)1230191054716(19)25h45710112326H68912H213H3
methyl4(4((2bromophenoxy)methyl)5methylthiophen2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4((2bromophenoxy)methyl)5methylthiophen2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD03074267
ZINC000008441711
ZINC000008441714
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