Vitas-M small molecule compound
butan-2-yl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402692
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1ccccc1Br)C(=O)CC(C2)(C)C)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 C23H28BrNO3 MW 446.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28BrNO3/c1-6-13(2)28-22(27)19-14(3)25-17-11-23(4,5)12-18(26)21(17)20(19)15-9-7-8-10-16(15)24/h7-10,13,20,25H,6,11-12H2,1-5H3InChIKey
DREGCMXRRNUOIK-UHFFFAOYSA-NSynonyms
butan2yl4(2bromophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
butan2yl4(2bromophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC=CC=C3Br)C(=O)CC(C2)(C)C)C
InChI=1SC23H28BrNO3c1613(2)2822(27)1914(3)25171123(45)1218(26)21(17)20(19)159781016(15)24h710132025H61112H215H3
MFCD02104479
ZINC000000710620
ZINC000000710623
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