Vitas-M small molecule compound
1-amino-3-(3-ethoxy-4-hydroxyphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile
Catalog ID
STK790932
SMILES CCOc1cc(ccc1O)C1C(=C(N)n2c(=C1C#N)sc1c2cccc1)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 C21H16N4O2S MW 388.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O2S/c1-2-27-17-9-12(7-8-16(17)26)19-13(10-22)20(24)25-15-5-3-4-6-18(15)28-21(25)14(19)11-23/h3-9,19,26H,2,24H2,1H3InChIKey
GURRMIFHBWRYQQ-UHFFFAOYSA-NSynonyms
349444-35-51amino3(3ethoxy4hydroxyphenyl)3Hbenzo(45)thiazolo(32a)pyridine24dicarbonitrile
1amino3(3ethoxy4hydroxyphenyl)3Hpyrido(21b)(13)benzothiazole24dicarbonitrile
349444355
CCOC1=C(C=CC(=C1)C2C(=C(N3C4=CC=CC=C4SC3=C2C#N)N)C#N)O
InChI=1SC21H16N4O2Sc122717912(7816(17)26)1913(1022)20(24)2515534618(15)2821(25)14(19)1123h391926H224H21H3
MFCD01197844
ZINC000004784902
ZINC000004784904
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