Vitas-M small molecule compound
(2Z)-2-(1,3-benzothiazol-2-yl)-3-{1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}prop-2-enenitrile
Catalog ID
STK904189
SMILES N#C/C(=C/c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCC1)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 C29H23N5O2S2 MW 537.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N5O2S2/c30-19-22(29-31-26-13-4-5-14-27(26)37-29)17-23-20-34(24-10-2-1-3-11-24)32-28(23)21-9-8-12-25(18-21)38(35,36)33-15-6-7-16-33/h1-5,8-14,17-18,20H,6-7,15-16H2/b22-17-InChIKey
UDLWYTKVUXEMEG-XLNRJJMWSA-NSynonyms
1008904-17-3(2Z)2(13benzothiazol2yl)3(1phenyl3(3(pyrrolidin1ylsulfonyl)phenyl)1Hpyrazol4yl)prop2enenitrile
(Z)2(13benzothiazol2yl)3(1phenyl3(3pyrrolidin1ylsulfonylphenyl)pyrazol4yl)prop2enenitrile
(Z)2(benzo(d)thiazol2yl)3(1phenyl3(3(pyrrolidin1ylsulfonyl)phenyl)1Hpyrazol4yl)acrylonitrile
1008904173
C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C4=NC5=CC=CC=C5S4)C6=CC=CC=C6
InChI=1SC29H23N5O2S2c301922(29312613451427(26)3729)17232034(24102131124)3228(23)21981225(1821)38(3536)3315671633h15814171820H671516H2b2217
MFCD04166833
N#CC(=Cc1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCC1)c1ccccc1)c1nc2c(s1)cccc2
ZINC000101112348
ZINC101112348
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