Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STL316646
SMILES N#C/C(=C\c1ccc2c(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 C21H16N2O2S MW 360.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O2S/c1-13-3-5-17(14(2)7-13)18-11-26-21(23-18)16(10-22)8-15-4-6-19-20(9-15)25-12-24-19/h3-9,11H,12H2,1-2H3/b16-8+InChIKey
TXVQVISDIZSEFO-LZYBPNLTSA-NSynonyms
371925-57-4(2E)3(13benzodioxol5yl)2(4(24dimethylphenyl)13thiazol2yl)prop2enenitrile
(E)3(13BENZODIOXOL5YL)2(4(24DIMETHYLPHENYL)13THIAZOL2YL)PROP2ENENITRILE
(E)3(benzo(d)(13)dioxol5yl)2(4(24dimethylphenyl)thiazol2yl)acrylonitrile
371925574
CC1=CC(=C(C=C1)C2=CSC(=N2)C(=CC3=CC4=C(C=C3)OCO4)C#N)C
InChI=1SC21H16N2O2Sc1133517(14(2)713)18112621(2318)16(1022)815461920(915)25122419h3911H12H212H3b168+
MFCD01559302
N#CC(=Cc1ccc2c(c1)OCO2)c1scc(n1)c1ccc(cc1C)C
ZINC000004785272
ZINC04785272
ZINC4785272
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