Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-ylcarbonyl)-3-{3-[3-(morpholin-4-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Catalog ID
STK904400
SMILES N#C/C(=C\c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccccc1)/C(=O)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 C30H23N5O4S2 MW 581.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23N5O4S2/c31-19-22(29(36)30-32-26-11-4-5-12-27(26)40-30)17-23-20-35(24-8-2-1-3-9-24)33-28(23)21-7-6-10-25(18-21)41(37,38)34-13-15-39-16-14-34/h1-12,17-18,20H,13-16H2/b22-17+InChIKey
MTAYFGTVLJLHFO-OQKWZONESA-NSynonyms
(2E)2(13benzothiazol2ylcarbonyl)3(3(3(morpholin4ylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(E)2(13benzothiazole2carbonyl)3(3(3morpholin4ylsulfonylphenyl)1phenylpyrazol4yl)prop2enenitrile
C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C(=O)C4=NC5=CC=CC=C5S4)C6=CC=CC=C6
InChI=1SC30H23N5O4S2c311922(29(36)30322611451227(26)4030)17232035(248213924)3328(23)21761025(1821)41(3738)34131539161434h112171820H1316H2b2217+
MFCD18076064
N#CC(=Cc1cn(nc1c1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccccc1)C(=O)c1nc2c(s1)cccc2
ZINC000097947314
ZINC97947314
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