Vitas-M small molecule compound

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

Catalog ID
STK376769
SMILES COc1cc(Br)c(cc1OC)C1C(=C(C)NC2=C1C(=O)CCC2)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 C22H26BrNO5 MW 464.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26BrNO5/c1-11(2)29-22(26)19-12(3)24-15-7-6-8-16(25)21(15)20(19)13-9-17(27-4)18(28-5)10-14(13)23/h9-11,20,24H,6-8H2,1-5H3
InChIKey
DDECRGUQSOADBM-UHFFFAOYSA-N
Synonyms
329195-50-8
329195508
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3Br)OC)OC)C(=O)OC(C)C
InChI=1SC22H26BrNO5c111(2)2922(26)1912(3)241576816(25)21(15)20(19)13917(274)18(285)1014(13)23h9112024H68H215H3
MFCD01367186
propan2yl4(2bromo45dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(2bromo45dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000019827615
ZINC000019827618

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Available files

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