Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK900120
SMILES N#C/C(=C\c1ccc2c(c1)OCO2)/c1scc(n1)c1ccc(cc1)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 C20H14N2O2S MW 346.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N2O2S/c1-13-2-5-15(6-3-13)17-11-25-20(22-17)16(10-21)8-14-4-7-18-19(9-14)24-12-23-18/h2-9,11H,12H2,1H3/b16-8+InChIKey
HVUHNGZRWFMODS-LZYBPNLTSA-NSynonyms
(2E)3(13benzodioxol5yl)2(4(4methylphenyl)13thiazol2yl)prop2enenitrile
(E)3(13BENZODIOXOL5YL)2(4(4METHYLPHENYL)13THIAZOL2YL)PROP2ENENITRILE
CC1=CC=C(C=C1)C2=CSC(=N2)C(=CC3=CC4=C(C=C3)OCO4)C#N
InChI=1SC20H14N2O2Sc1132515(6313)17112520(2217)16(1021)814471819(914)24122318h2911H12H21H3b168+
MFCD18173232
N#CC(=Cc1ccc2c(c1)OCO2)c1scc(n1)c1ccc(cc1)C
ZINC000004175125
ZINC04175125
ZINC4175125
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