Vitas-M small molecule compound
(2Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-methoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Catalog ID
STK812278
SMILES COc1ccc(c(c1)C)c1nn(cc1/C=C(\c1nc2c(s1)cccc2)/C#N)c1ccccc1
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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 C27H20N4OS MW 448.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N4OS/c1-18-14-22(32-2)12-13-23(18)26-20(17-31(30-26)21-8-4-3-5-9-21)15-19(16-28)27-29-24-10-6-7-11-25(24)33-27/h3-15,17H,1-2H3/b19-15-InChIKey
ZPIFAZGXMGNUHA-CYVLTUHYSA-NSynonyms
(2Z)2(13benzothiazol2yl)3(3(4methoxy2methylphenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(Z)2(13benzothiazol2yl)3(3(4methoxy2methylphenyl)1phenylpyrazol4yl)prop2enenitrile
CC1=C(C=CC(=C1)OC)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5
COc1ccc(c(c1)C)c1nn(cc1C=C(c1nc2c(s1)cccc2)C#N)c1ccccc1
InChI=1SC27H20N4OSc1181422(322)121323(18)2620(1731(3026)218435921)1519(1628)27292410671125(24)3327h31517H12H3b1915
MFCD05151767
ZINC000016728807
ZINC16728807
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