Vitas-M small molecule compound
(2Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Catalog ID
STK822968
SMILES CCOc1ccc(cc1C)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 C28H22N4OS MW 462.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4OS/c1-3-33-25-14-13-20(15-19(25)2)27-22(18-32(31-27)23-9-5-4-6-10-23)16-21(17-29)28-30-24-11-7-8-12-26(24)34-28/h4-16,18H,3H2,1-2H3/b21-16-InChIKey
FOXQOWZSJTWUAF-PGMHBOJBSA-NSynonyms
(2Z)2(13benzothiazol2yl)3(3(4ethoxy3methylphenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(E)2(benzo(d)thiazol2yl)3(3(4ethoxy3methylphenyl)1phenyl1Hpyrazol4yl)acrylonitrile
(Z)2(13benzothiazol2yl)3(3(4ethoxy3methylphenyl)1phenylpyrazol4yl)prop2enenitrile
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C
CCOc1ccc(cc1C)c1nn(cc1C=C(c1nc2c(s1)cccc2)C#N)c1ccccc1
InChI=1SC28H22N4OSc133325141320(1519(25)2)2722(1832(3127)2395461023)1621(1729)28302411781226(24)3428h41618H3H212H3b2116
MFCD03463530
ZINC000027018073
ZINC27018073
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