Vitas-M small molecule compound

4-[(E)-2-(5-bromo-1H-indol-3-yl)ethenyl]-1-methylpyridinium

Catalog ID
STK074528
SMILES Brc1ccc2c(c1)c(/C=C/c1cc[n+](cc1)C)c[nH]2

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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 C16H14BrN2 MW 314.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrN2/c1-19-8-6-12(7-9-19)2-3-13-11-18-16-5-4-14(17)10-15(13)16/h2-11H,1H3/p+1
InChIKey
OMKSALQWENVUHQ-UHFFFAOYSA-O
Synonyms

4((E)2(5BROMO1HINDOL3YL)ETHENYL)1METHYLPYRIDINIUM
5BROMO3((E)2(1METHYLPYRIDIN1IUM4YL)ETHENYL)1HINDOLE
5BROMO3(2(1METHYLPYRIDIN1IUM4YL)ETHENYL)1HINDOLE
Brc1ccc2c(c1)c(C=Cc1cc(n+)(cc1)C)c(nH)2
C(N+)1=CC=C(C=C1)C=CC2=CNC3=C2C=C(C=C3)Br
InChI=1SC16H13BrN2c1198612(7919)23131118165414(17)1015(13)16h211H1H3p+1
MFCD01572751
STK074528
ZINC000334157473
ZINC000334157475
ZINC00268502
ZINC268502

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Available files

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