Vitas-M small molecule compound

6-methyl 3-propan-2-yl 4-(2-bromophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK404697
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(C(=C(N2)C)C(=O)OC(C)C)c1ccccc1Br

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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)25-16-10-12(3)17(22(27)29-5)21(26)20(16)19(18)14-8-6-7-9-15(14)24/h6-9,11-12,17,19,25H,10H2,1-5H3
InChIKey
PAFKIEFUDMSJCT-UHFFFAOYSA-N
Synonyms

6methyl3propan2yl4(2bromophenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
6Omethyl3Opropan2yl4(2bromophenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC(C)C)C3=CC=CC=C3Br)C(=O)C1C(=O)OC
InChI=1SC23H26BrNO5c111(2)3023(28)1813(4)25161012(3)17(22(27)295)21(26)20(16)19(18)14867915(14)24h691112171925H10H215H3
MFCD05031595
ZINC000001460871
ZINC000102009762

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Available files

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