Vitas-M small molecule compound
butan-2-yl 4-(2-bromophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402471
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1ccccc1Br)C(=O)CC(C2)c1ccccc1)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 C27H28BrNO3 MW 494.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28BrNO3/c1-4-16(2)32-27(31)24-17(3)29-22-14-19(18-10-6-5-7-11-18)15-23(30)26(22)25(24)20-12-8-9-13-21(20)28/h5-13,16,19,25,29H,4,14-15H2,1-3H3InChIKey
BIBYABZCDDPSRZ-UHFFFAOYSA-NSynonyms
butan2yl4(2bromophenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
butan2yl4(2bromophenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC=CC=C3Br)C(=O)CC(C2)C4=CC=CC=C4)C
InChI=1SC27H28BrNO3c1416(2)3227(31)2417(3)29221419(18106571118)1523(30)26(22)25(24)2012891321(20)28h51316192529H41415H213H3
MFCD01471070
ZINC000002776139
ZINC000035973799
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