Vitas-M small molecule compound
(2Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Catalog ID
STK514875
SMILES CCCCOc1ccc(cc1F)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 C29H23FN4OS MW 494.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23FN4OS/c1-2-3-15-35-26-14-13-20(17-24(26)30)28-22(19-34(33-28)23-9-5-4-6-10-23)16-21(18-31)29-32-25-11-7-8-12-27(25)36-29/h4-14,16-17,19H,2-3,15H2,1H3/b21-16-InChIKey
UJVMEAHBNJUKCR-PGMHBOJBSA-NSynonyms
(2Z)2(13benzothiazol2yl)3(3(4butoxy3fluorophenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(Z)2(13benzothiazol2yl)3(3(4butoxy3fluorophenyl)1phenylpyrazol4yl)prop2enenitrile
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)F
CCCCOc1ccc(cc1F)c1nn(cc1C=C(c1nc2c(s1)cccc2)C#N)c1ccccc1
InChI=1SC29H23FN4OSc123153526141320(1724(26)30)2822(1934(3328)2395461023)1621(1831)29322511781227(25)3629h414161719H2315H21H3b2116
MFCD03506659
ZINC000015230898
ZINC15230898
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