Vitas-M small molecule compound
butan-2-yl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK054427
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1Br)OC)C(=O)CCC2)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 C23H28BrNO5 MW 478.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28BrNO5/c1-6-12(2)30-23(27)20-13(3)25-16-8-7-9-17(26)22(16)21(20)14-10-18(28-4)19(29-5)11-15(14)24/h10-12,21,25H,6-9H2,1-5H3InChIKey
SDIXCMQCDFABQU-UHFFFAOYSA-NSynonyms
butan2yl4(2bromo45dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butan2yl4(2bromo45dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3Br)OC)OC)C(=O)CCC2)C
CCC(OC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1Br)OC)C(=O)CCC2)C
InChI=1SC23H28BrNO5c1612(2)3023(27)2013(3)251687917(26)22(16)21(20)141018(284)19(295)1115(14)24h10122125H69H215H3
MFCD02187998
STK054427
ZINC000000716977
ZINC000000716980
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