Vitas-M small molecule compound
(2Z)-2-(1,3-benzothiazol-2-yl)-3-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Catalog ID
STK702995
SMILES N#C/C(=C/c1cn(nc1c1ccc(c(c1)C)OCCC(C)C)c1ccccc1)/c1nc2c(s1)cccc2
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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 C31H28N4OS MW 504.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4OS/c1-21(2)15-16-36-28-14-13-23(17-22(28)3)30-25(20-35(34-30)26-9-5-4-6-10-26)18-24(19-32)31-33-27-11-7-8-12-29(27)37-31/h4-14,17-18,20-21H,15-16H2,1-3H3/b24-18-InChIKey
DSYZRQGQJCGFNP-MOHJPFBDSA-NSynonyms
(2Z)2(13benzothiazol2yl)3(3(3methyl4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(E)2(benzo(d)thiazol2yl)3(3(4(isopentyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)acrylonitrile
(Z)2(13benzothiazol2yl)3(3(3methyl4(3methylbutoxy)phenyl)1phenylpyrazol4yl)prop2enenitrile
CC1=C(C=CC(=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)OCCC(C)C
InChI=1SC31H28N4OSc121(2)15163628141323(1722(28)3)3025(2035(3430)2695461026)1824(1932)31332711781229(27)3731h41417182021H1516H213H3b2418
MFCD03461908
N#CC(=Cc1cn(nc1c1ccc(c(c1)C)OCCC(C)C)c1ccccc1)c1nc2c(s1)cccc2
ZINC000026687616
ZINC26687616
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