Vitas-M small molecule compound
(2Z)-2-(1,3-benzothiazol-2-yl)-3-{3-[3-(morpholin-4-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Catalog ID
STL053861
SMILES N#C/C(=C/c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCOCC1)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 C29H23N5O3S2 MW 553.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N5O3S2/c30-19-22(29-31-26-11-4-5-12-27(26)38-29)17-23-20-34(24-8-2-1-3-9-24)32-28(23)21-7-6-10-25(18-21)39(35,36)33-13-15-37-16-14-33/h1-12,17-18,20H,13-16H2/b22-17-InChIKey
WRARWGRKBZPEPN-XLNRJJMWSA-NSynonyms
(2Z)2(13benzothiazol2yl)3(3(3(morpholin4ylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(Z)2(13benzothiazol2yl)3(3(3morpholin4ylsulfonylphenyl)1phenylpyrazol4yl)prop2enenitrile
(Z)2(benzo(d)thiazol2yl)3(3(3(morpholinosulfonyl)phenyl)1phenyl1Hpyrazol4yl)acrylonitrile
C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C4=NC5=CC=CC=C5S4)C6=CC=CC=C6
InChI=1SC29H23N5O3S2c301922(29312611451227(26)3829)17232034(248213924)3228(23)21761025(1821)39(3536)33131537161433h112171820H1316H2b2217
MFCD04162761
N#CC(=Cc1cn(nc1c1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccccc1)c1nc2c(s1)cccc2
ZINC000097970391
ZINC97970391
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