Vitas-M small molecule compound

methyl 4-{3-[(2-bromophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK960656
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)COc1ccccc1Br)OC)C(=O)CCC2

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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 C26H26BrNO5 MW 512.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26BrNO5/c1-15-23(26(30)32-3)24(25-19(28-15)8-6-9-20(25)29)16-11-12-21(31-2)17(13-16)14-33-22-10-5-4-7-18(22)27/h4-5,7,10-13,24,28H,6,8-9,14H2,1-3H3
InChIKey
ATDQHMNXDFCBMR-UHFFFAOYSA-N
Synonyms
445031-52-7
445031527
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OC)COC4=CC=CC=C4Br)C(=O)OC
InChI=1SC26H26BrNO5c11523(26(30)323)24(2519(2815)86920(25)29)16111221(312)17(1316)1433221054718(22)27h45710132428H68914H213H3
methyl4(3((2bromophenoxy)methyl)4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3((2bromophenoxy)methyl)4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02175598
ZINC000000648497
ZINC000000648499

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Available files

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