Vitas-M small molecule compound
3-[5-cyano-6-(methylsulfanyl)pyridin-3-yl]-1-(2-cyclopropyl-2-oxoethyl)pyridinium
Catalog ID
STL323643
SMILES N#Cc1cc(cnc1SC)c1ccc[n+](c1)CC(=O)C1CC1
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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 C17H16N3OS MW 310.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N3OS/c1-22-17-14(8-18)7-15(9-19-17)13-3-2-6-20(10-13)11-16(21)12-4-5-12/h2-3,6-7,9-10,12H,4-5,11H2,1H3/q+1InChIKey
KCEMECXMHWDGKW-UHFFFAOYSA-NSynonyms
3(5cyano6(methylsulfanyl)pyridin3yl)1(2cyclopropyl2oxoethyl)pyridinium
5(1(2CYCLOPROPYL2OXOETHYL)PYRIDIN1IUM3YL)2METHYLSULFANYLPYRIDINE3CARBONITRILE
CSC1=NC=C(C=C1C#N)C2=C(N+)(=CC=C2)CC(=O)C3CC3
InChI=1SC17H16N3OSc1221714(818)715(91917)1332620(1013)1116(21)124512h236791012H4511H21H3q+1
MFCD01089738
N#Cc1cc(cnc1SC)c1ccc(n+)(c1)CC(=O)C1CC1
ZINC000001831947
ZINC01831947
ZINC1831947
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