Vitas-M small molecule compound

methyl 4-(2-bromo-3,4,5-trimethoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

Catalog ID
STK003134
SMILES COC(=O)C1=C(C)NC(=O)CC1c1cc(OC)c(c(c1Br)OC)OC

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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 C17H20BrNO6 MW 414.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20BrNO6/c1-8-13(17(21)25-5)9(7-12(20)19-8)10-6-11(22-2)15(23-3)16(24-4)14(10)18/h6,9H,7H2,1-5H3,(H,19,20)
InChIKey
ALTYBBRPPQNORC-UHFFFAOYSA-N
Synonyms
346716-10-7
346716107
CC1=C(C(CC(=O)N1)C2=CC(=C(C(=C2Br)OC)OC)OC)C(=O)OC
COC(=O)C1=C(C)NC(=O)CC1c1cc(OC)c(c(c1Br)OC)OC
InChI=1SC17H20BrNO6c1813(17(21)255)9(712(20)198)10611(222)15(233)16(244)14(10)18h69H7H215H3(H1920)
methyl4(2bromo345trimethoxyphenyl)2methyl6oxo1456tetrahydropyridine3carboxylate
METHYL4(2BROMO345TRIMETHOXYPHENYL)6METHYL2OXO34DIHYDRO1HPYRIDINE5CARBOXYLATE
MFCD02105319
STK003134
ZINC000000720133
ZINC000000720134

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.