Vitas-M small molecule compound
(2Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Catalog ID
STK810356
SMILES CCCCOc1ccc(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 C30H26N4OS MW 490.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N4OS/c1-3-4-16-35-25-14-15-26(21(2)17-25)29-23(20-34(33-29)24-10-6-5-7-11-24)18-22(19-31)30-32-27-12-8-9-13-28(27)36-30/h5-15,17-18,20H,3-4,16H2,1-2H3/b22-18-InChIKey
PONAOCIMROIFRV-PYCFMQQDSA-NSynonyms
(2Z)2(13benzothiazol2yl)3(3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(Z)2(13benzothiazol2yl)3(3(4butoxy2methylphenyl)1phenylpyrazol4yl)prop2enenitrile
CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C
CCCCOc1ccc(c(c1)C)c1nn(cc1C=C(c1nc2c(s1)cccc2)C#N)c1ccccc1
InChI=1SC30H26N4OSc134163525141526(21(2)1725)2923(2034(3329)24106571124)1822(1931)30322712891328(27)3630h515171820H3416H212H3b2218
MFCD04589899
ZINC000016701048
ZINC16701048
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