Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK839127
SMILES N#C/C(=C\Nc1ccc2c(c1)OCO2)/c1scc(n1)c1ccc(cc1C)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 C21H17N3O2S MW 375.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O2S/c1-13-3-5-17(14(2)7-13)18-11-27-21(24-18)15(9-22)10-23-16-4-6-19-20(8-16)26-12-25-19/h3-8,10-11,23H,12H2,1-2H3/b15-10+InChIKey
NYQXFIRKZKVAHK-XNTDXEJSSA-NSynonyms
378214-89-2(2E)3(13benzodioxol5ylamino)2(4(24dimethylphenyl)13thiazol2yl)prop2enenitrile
(E)3(13BENZODIOXOL5YLAMINO)2(4(24DIMETHYLPHENYL)13THIAZOL2YL)PROP2ENENITRILE
(E)3(benzo(d)(13)dioxol5ylamino)2(4(24dimethylphenyl)thiazol2yl)acrylonitrile
378214892
CC1=CC(=C(C=C1)C2=CSC(=N2)C(=CNC3=CC4=C(C=C3)OCO4)C#N)C
InChI=1SC21H17N3O2Sc1133517(14(2)713)18112721(2418)15(922)102316461920(816)26122519h38101123H12H212H3b1510+
MFCD02984616
N#CC(=CNc1ccc2c(c1)OCO2)c1scc(n1)c1ccc(cc1C)C
ZINC000002317876
ZINC02317876
ZINC2317876
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