Vitas-M small molecule compound
(2Z)-3-{3-[4-(ethylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Catalog ID
STK516715
SMILES N#C/C(=C/c1cn(nc1c1ccc(cc1)S(=O)(=O)CC)c1ccccc1)/c1nc2ccccc2c(=O)[nH]1
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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 C28H21N5O3S MW 507.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N5O3S/c1-2-37(35,36)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
AYFWEPYCHARVGG-SILNSSARSA-NSynonyms
(2Z)3(3(4(ethylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)2(4oxo34dihydroquinazolin2yl)prop2enenitrile
(Z)3(3(4ethylsulfonylphenyl)1phenylpyrazol4yl)2(4oxo1Hquinazolin2yl)prop2enenitrile
CCS(=O)(=O)C1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5
InChI=1SC28H21N5O3Sc1237(3536)23141219(131523)2621(1833(3226)228435922)1620(1729)27302511761024(25)28(34)3127h31618H2H21H3(H303134)b2016
MFCD06645788
N#CC(=Cc1cn(nc1c1ccc(cc1)S(=O)(=O)CC)c1ccccc1)c1nc2ccccc2c(=O)(nH)1
ZINC000016742430
ZINC16742430
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