Vitas-M small molecule compound
(2Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(2-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Catalog ID
STK810379
SMILES CCCOc1ccc(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 C29H24N4OS MW 476.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N4OS/c1-3-15-34-24-13-14-25(20(2)16-24)28-22(19-33(32-28)23-9-5-4-6-10-23)17-21(18-30)29-31-26-11-7-8-12-27(26)35-29/h4-14,16-17,19H,3,15H2,1-2H3/b21-17-InChIKey
CWAXVAZQXHHGPB-FXBPSFAMSA-NSynonyms
(2Z)2(13benzothiazol2yl)3(3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(Z)2(13benzothiazol2yl)3(3(2methyl4propoxyphenyl)1phenylpyrazol4yl)prop2enenitrile
CCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C
CCCOc1ccc(c(c1)C)c1nn(cc1C=C(c1nc2c(s1)cccc2)C#N)c1ccccc1
InChI=1SC29H24N4OSc13153424131425(20(2)1624)2822(1933(3228)2395461023)1721(1830)29312611781227(26)3529h414161719H315H212H3b2117
MFCD03952286
ZINC000028467478
ZINC28467478
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