Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Catalog ID
STK815185
SMILES N#C/C(=C\c1cn(nc1c1ccc2c(c1)OCCO2)c1ccccc1)/c1nc2c(s1)cccc2
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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 C27H18N4O2S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18N4O2S/c28-16-19(27-29-22-8-4-5-9-25(22)34-27)14-20-17-31(21-6-2-1-3-7-21)30-26(20)18-10-11-23-24(15-18)33-13-12-32-23/h1-11,14-15,17H,12-13H2/b19-14+InChIKey
CKWQFAOHJUEEDM-XMHGGMMESA-NSynonyms
(2E)2(13benzothiazol2yl)3(3(23dihydro14benzodioxin6yl)1phenyl1Hpyrazol4yl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YL)3(3(23DIHYDRO14BENZODIOXIN6YL)1PHENYLPYRAZOL4YL)PROP2ENENITRILE
C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C(C#N)C4=NC5=CC=CC=C5S4)C6=CC=CC=C6
InChI=1SC27H18N4O2Sc281619(272922845925(22)3427)14201731(216213721)3026(20)1810112324(1518)3313123223h111141517H1213H2b1914+
MFCD02692341
N#CC(=Cc1cn(nc1c1ccc2c(c1)OCCO2)c1ccccc1)c1nc2c(s1)cccc2
ZINC000013300972
ZINC13300972
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