Vitas-M small molecule compound

2-methylpropyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK363748
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc2OCOc2cc1Br)C(=O)OCC(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 C29H30BrNO6 MW 568.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30BrNO6/c1-15(2)13-35-29(33)26-16(3)31-22-9-18(17-5-7-19(34-4)8-6-17)10-23(32)28(22)27(26)20-11-24-25(12-21(20)30)37-14-36-24/h5-8,11-12,15,18,27,31H,9-10,13-14H2,1-4H3
InChIKey
QAITUAFBLRIOCC-UHFFFAOYSA-N
Synonyms

2methylpropyl4(6bromo13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methylpropyl4(6bromo13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4Br)OCO5)C(=O)OCC(C)C
InChI=1SC29H30BrNO6c115(2)133529(33)2616(3)3122918(175719(344)8617)1023(32)28(22)27(26)20112425(1221(20)30)37143624h58111215182731H9101314H214H3
MFCD01572220
ZINC000100078081
ZINC000100078090

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Available files

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