Vitas-M small molecule compound
(2Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(3-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Catalog ID
STK706814
SMILES CCCCOc1cccc(c1)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/c1-2-3-16-34-25-13-9-10-21(18-25)28-23(20-33(32-28)24-11-5-4-6-12-24)17-22(19-30)29-31-26-14-7-8-15-27(26)35-29/h4-15,17-18,20H,2-3,16H2,1H3/b22-17-InChIKey
KTKFWZINODJDBZ-XLNRJJMWSA-NSynonyms
1009437-40-4(2Z)2(13benzothiazol2yl)3(3(3butoxyphenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(Z)2(13benzothiazol2yl)3(3(3butoxyphenyl)1phenylpyrazol4yl)prop2enenitrile
(Z)2(benzo(d)thiazol2yl)3(3(3butoxyphenyl)1phenyl1Hpyrazol4yl)acrylonitrile
1009437404
CCCCOC1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5
CCCCOc1cccc(c1)c1nn(cc1C=C(c1nc2c(s1)cccc2)C#N)c1ccccc1
InChI=1SC29H24N4OSc1231634251391021(1825)2823(2033(3228)24115461224)1722(1930)29312614781527(26)3529h415171820H2316H21H3b2217
MFCD04016419
ZINC000009459283
ZINC09459283
ZINC9459283
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