Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK900095
SMILES CCOc1ccc(cc1)c1csc(n1)/C(=C/c1ccc2c(c1)OCO2)/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 C21H16N2O3S MW 376.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O3S/c1-2-24-17-6-4-15(5-7-17)18-12-27-21(23-18)16(11-22)9-14-3-8-19-20(10-14)26-13-25-19/h3-10,12H,2,13H2,1H3/b16-9+InChIKey
DVKXJACNGFVZAX-CXUHLZMHSA-NSynonyms
(2E)3(13benzodioxol5yl)2(4(4ethoxyphenyl)13thiazol2yl)prop2enenitrile
(E)3(13BENZODIOXOL5YL)2(4(4ETHOXYPHENYL)13THIAZOL2YL)PROP2ENENITRILE
CCOC1=CC=C(C=C1)C2=CSC(=N2)C(=CC3=CC4=C(C=C3)OCO4)C#N
CCOc1ccc(cc1)c1csc(n1)C(=Cc1ccc2c(c1)OCO2)C#N
InChI=1SC21H16N2O3Sc1224176415(5717)18122721(2318)16(1122)914381920(1014)26132519h31012H213H21H3b169+
MFCD18173230
ZINC000004175136
ZINC04175136
ZINC4175136
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