Vitas-M small molecule compound
4-(benzylcarbamoyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]pyridinium bromide
Catalog ID
STK093429
SMILES COc1ccc(cc1OC)C(=O)C[n+]1ccc(cc1)C(=O)NCc1ccccc1.[Br-]
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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 C23H23BrN2O4 MW 471.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O4.BrH/c1-28-21-9-8-19(14-22(21)29-2)20(26)16-25-12-10-18(11-13-25)23(27)24-15-17-6-4-3-5-7-17;/h3-14H,15-16H2,1-2H3;1HInChIKey
VLLSFMQGVNVNRZ-UHFFFAOYSA-NSynonyms
4(BENZYLCARBAMOYL)1(2(34DIMETHOXYPHENYL)2OXOETHYL)PYRIDINIUMBROMIDE
COC1=C(C=C(C=C1)C(=O)C(N+)2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3)OC(Br)
COc1ccc(cc1OC)C(=O)C(n+)1ccc(cc1)C(=O)NCc1ccccc1(Br)
InChI=1SC23H22N2O4BrHc128219819(1422(21)292)20(26)1625121018(111325)23(27)2415176435717h314H1516H212H31H
MFCD00729314
Nbenzyl1(2(34dimethoxyphenyl)2oxoethyl)pyridin1ium4carboxamidebromide
STK093429
ZINC000003079010
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