Vitas-M small molecule compound
(2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2,4-dimethoxyphenyl)prop-2-enenitrile
Catalog ID
STK898510
SMILES COc1ccc(c(c1)OC)/C=C(/c1scc(n1)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 C21H16N2O4S MW 392.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O4S/c1-24-16-5-3-14(19(9-16)25-2)7-15(10-22)21-23-17(11-28-21)13-4-6-18-20(8-13)27-12-26-18/h3-9,11H,12H2,1-2H3/b15-7+InChIKey
MOSOFRCXVOTYDL-VIZOYTHASA-NSynonyms
(2E)2(4(13benzodioxol5yl)13thiazol2yl)3(24dimethoxyphenyl)prop2enenitrile
(E)2(4(13benzodioxol5yl)13thiazol2yl)3(24dimethoxyphenyl)prop2enenitrile
COC1=CC(=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4)OC
COc1ccc(c(c1)OC)C=C(c1scc(n1)c1ccc2c(c1)OCO2)C#N
InChI=1SC21H16N2O4Sc124165314(19(916)252)715(1022)212317(112821)13461820(813)27122618h3911H12H212H3b157+
MFCD18173037
ZINC000033397599
ZINC33397599
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