Vitas-M small molecule compound

1-[2-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-oxoethyl]-4-[(3-hydroxypropyl)carbamoyl]pyridinium bromide

Catalog ID
STK011826
SMILES OCCCNC(=O)c1cc[n+](cc1)CC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C.[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 C25H35BrN2O4 MW 507.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34N2O4.BrH/c1-24(2,3)19-14-18(15-20(22(19)30)25(4,5)6)21(29)16-27-11-8-17(9-12-27)23(31)26-10-7-13-28;/h8-9,11-12,14-15,28H,7,10,13,16H2,1-6H3,(H-,26,29,30,31);1H
InChIKey
XWHOVBADWHEJFC-UHFFFAOYSA-N
Synonyms

1(2(35DITERTBUTYL4HYDROXYPHENYL)2OXOETHYL)4((3HYDROXYPROPYL)CARBAMOYL)PYRIDINIUMBROMIDE
1(2(35ditertbutyl4hydroxyphenyl)2oxoethyl)N(3hydroxypropyl)pyridin1ium4carboxamidebromide
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C(N+)2=CC=C(C=C2)C(=O)NCCCO(Br)
InChI=1SC25H34N2O4BrHc124(23)191418(1520(22(19)30)25(45)6)21(29)162711817(91227)23(31)261071328h891112141528H7101316H216H3(H26293031)1H
MFCD00519287
OCCCNC(=O)c1cc(n+)(cc1)CC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C(Br)
STK011826
ZINC000001951260

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Available files

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