Vitas-M small molecule compound

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

Catalog ID
STK405269
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)c1cccs1

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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 C23H20BrNO5S MW 502.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20BrNO5S/c1-11-20(23(27)28-2)21(13-8-17-18(9-14(13)24)30-10-29-17)22-15(25-11)6-12(7-16(22)26)19-4-3-5-31-19/h3-5,8-9,12,21,25H,6-7,10H2,1-2H3
InChIKey
GSCLEUZDFLWREP-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC5=C(C=C4Br)OCO5)C(=O)OC
InChI=1SC23H20BrNO5Sc11120(23(27)282)21(1381718(914(13)24)30102917)2215(2511)612(716(22)26)194353119h3589122125H6710H212H3
methyl4(6bromo13benzodioxol5yl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
methyl4(6bromo13benzodioxol5yl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
MFCD03999006
ZINC000001140606
ZINC000001140609

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Available files

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