Vitas-M small molecule compound

benzyl 4-(2-bromo-4,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK363296
SMILES COc1cc(Br)c(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1

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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 C28H30BrNO5 MW 540.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrNO5/c1-16-24(27(32)35-15-17-9-7-6-8-10-17)25(18-11-22(33-4)23(34-5)12-19(18)29)26-20(30-16)13-28(2,3)14-21(26)31/h6-12,25,30H,13-15H2,1-5H3
InChIKey
MXXAYPDISSOEOL-UHFFFAOYSA-N
Synonyms

benzyl4(2bromo45dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(2bromo45dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3Br)OC)OC)C(=O)OCC4=CC=CC=C4
InChI=1SC28H30BrNO5c11624(27(32)35151797681017)25(181122(334)23(345)1219(18)29)2620(3016)1328(23)1421(26)31h6122530H1315H215H3
MFCD01133724
ZINC000098048817
ZINC000098048818

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Available files

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