Vitas-M small molecule compound
(2E)-3-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(4-hydroxyquinazolin-2-yl)prop-2-enenitrile
Catalog ID
STK607103
SMILES CCSc1ccc(cc1)c1nn(cc1/C=C(/c1nc(O)c2c(n1)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 C28H21N5OS MW 475.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N5OS/c1-2-35-23-14-12-19(13-15-23)26-21(18-33(32-26)22-8-4-3-5-9-22)16-20(17-29)27-30-25-11-7-6-10-24(25)28(34)31-27/h3-16,18H,2H2,1H3,(H,30,31,34)/b20-16+InChIKey
VVHVHTDLYBVEQO-CAPFRKAQSA-NSynonyms
957300-07-1(2E)3(3(4(ethylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)2(4hydroxyquinazolin2yl)prop2enenitrile
(E)3(3(4ETHYLSULFANYLPHENYL)1PHENYLPYRAZOL4YL)2(4OXO1HQUINAZOLIN2YL)PROP2ENENITRILE
957300071
CCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5
CCSc1ccc(cc1)c1nn(cc1C=C(c1nc(O)c2c(n1)cccc2)C#N)c1ccccc1
InChI=1SC28H21N5OSc123523141219(131523)2621(1833(3226)228435922)1620(1729)27302511761024(25)28(34)3127h31618H2H21H3(H303134)b2016+
MFCD08732733
ZINC000009462115
ZINC9462115
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