Vitas-M small molecule compound

(2Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile

Catalog ID
STK865340
SMILES COc1ccc(cc1)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 C26H18N4OS MW 434.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18N4OS/c1-31-22-13-11-18(12-14-22)25-20(17-30(29-25)21-7-3-2-4-8-21)15-19(16-27)26-28-23-9-5-6-10-24(23)32-26/h2-15,17H,1H3/b19-15-
InChIKey
UQKCTYIBJXRVJD-CYVLTUHYSA-N
Synonyms

(2Z)2(13benzothiazol2yl)3(3(4methoxyphenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(Z)2(13benzothiazol2yl)3(3(4methoxyphenyl)1phenylpyrazol4yl)prop2enenitrile
COC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5
COc1ccc(cc1)c1nn(cc1C=C(c1nc2c(s1)cccc2)C#N)c1ccccc1
InChI=1SC26H18N4OSc13122131118(121422)2520(1730(2925)217324821)1519(1627)2628239561024(23)3226h21517H1H3b1915
MFCD03463524
ZINC000019898524
ZINC19898524

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Available files

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