Vitas-M small molecule compound
6-methyl 3-propan-2-yl 4-(3-bromophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404709
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1cccc(c1)Br)C(=C(N2)C)C(=O)OC(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 C23H26BrNO5 MW 476.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26BrNO5/c1-11(2)30-23(28)18-13(4)25-16-9-12(3)17(22(27)29-5)21(26)20(16)19(18)14-7-6-8-15(24)10-14/h6-8,10-12,17,19,25H,9H2,1-5H3InChIKey
WNVXJFMQFHADDP-UHFFFAOYSA-NSynonyms
6methyl3propan2yl4(3bromophenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
6Omethyl3Opropan2yl4(3bromophenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC(C)C)C3=CC(=CC=C3)Br)C(=O)C1C(=O)OC
InChI=1SC23H26BrNO5c111(2)3023(28)1813(4)2516912(3)17(22(27)295)21(26)20(16)19(18)1476815(24)1014h681012171925H9H215H3
MFCD05031599
ZINC000001460875
ZINC000239235712
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