Vitas-M small molecule compound

2-(4-bromophenyl)-N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-oxoethanaminium

Catalog ID
STK870309
SMILES COCc1cc(C)nc(c1C#N)SCC[N+](CC(=O)c1ccc(cc1)Br)(C)C

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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 C21H25BrN3O2S MW 463.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25BrN3O2S/c1-15-11-17(14-27-4)19(12-23)21(24-15)28-10-9-25(2,3)13-20(26)16-5-7-18(22)8-6-16/h5-8,11H,9-10,13-14H2,1-4H3/q+1
InChIKey
OGPABCNRAOITBR-UHFFFAOYSA-N
Synonyms

(2(4BROMOPHENYL)2OXOETHYL)(2(3CYANO4(METHOXYMETHYL)6METHYLPYRIDIN2YL)SULFANYLETHYL)DIMETHYLAZANIUM
2(4bromophenyl)N(2((3cyano4(methoxymethyl)6methylpyridin2yl)sulfanyl)ethyl)NNdimethyl2oxoethanaminium
CC1=NC(=C(C(=C1)COC)C#N)SCC(N+)(C)(C)CC(=O)C2=CC=C(C=C2)Br
COCc1cc(C)nc(c1C#N)SCC(N+)(CC(=O)c1ccc(cc1)Br)(C)C
InChI=1SC21H25BrN3O2Sc1151117(14274)19(1223)21(2415)2810925(23)1320(26)165718(22)8616h5811H9101314H214H3q+1
ZINC000008659879
ZINC08659879
ZINC8659879

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Available files

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