Vitas-M small molecule compound

3-cyano-6-hydroxy-4-(4-methoxyphenyl)-6-methyl-5-(pyridinium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate

Catalog ID
STL324338
SMILES COc1ccc(cc1)C1C(=C([S-])NC(C1[n+]1ccccc1)(C)O)C#N

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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 C19H19N3O2S MW 353.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O2S/c1-19(23)17(22-10-4-3-5-11-22)16(15(12-20)18(25)21-19)13-6-8-14(24-2)9-7-13/h3-11,16-17,21,23H,1-2H3
InChIKey
KXEKURHMFVUHNN-UHFFFAOYSA-N
Synonyms

(2R3R4S)5cyano2hydroxy4(4methoxyphenyl)2methyl1234tetrahydro(13bipyridin)1ium6thiolate
3cyano6hydroxy4(4methoxyphenyl)6methyl5(pyridinium1yl)1456tetrahydropyridine2thiolate
5CYANO2HYDROXY4(4METHOXYPHENYL)2METHYL3PYRIDIN1IUM1YL34DIHYDRO1HPYRIDINE6THIOLATE
CC1(C(C(C(=C(N1)(S))C#N)C2=CC=C(C=C2)OC)(N+)3=CC=CC=C3)O
COc1ccc(cc1)(C@H)1C(=C((S))N(C@)((C@@H)1(n+)1ccccc1)(C)O)C#N
COc1ccc(cc1)C1C(=C((S))NC(C1(n+)1ccccc1)(C)O)C#N
InChI=1SC19H19N3O2Sc119(23)17(22104351122)16(15(1220)18(25)2119)136814(242)9713h31116172123H12H3
MFCD28032028
ZINC000002229715
ZINC000035898218

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Available files

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