Vitas-M small molecule compound
3-{4-[(Z)-2-cyano-2-(4-oxo-3,4-dihydroquinazolin-2-yl)ethenyl]-1-phenyl-1H-pyrazol-3-yl}-N,N-dimethylbenzenesulfonamide
Catalog ID
STK905381
SMILES N#C/C(=C/c1cn(nc1c1cccc(c1)S(=O)(=O)N(C)C)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 C28H22N6O3S MW 522.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N6O3S/c1-33(2)38(36,37)23-12-8-9-19(16-23)26-21(18-34(32-26)22-10-4-3-5-11-22)15-20(17-29)27-30-25-14-7-6-13-24(25)28(35)31-27/h3-16,18H,1-2H3,(H,30,31,35)/b20-15-InChIKey
VLPKCCNBBBKVDJ-HKWRFOASSA-NSynonyms
(E)3(4(2cyano2(4oxo34dihydroquinazolin2yl)vinyl)1phenyl1Hpyrazol3yl)NNdimethylbenzenesulfonamide
3(4((Z)2cyano2(4oxo1Hquinazolin2yl)ethenyl)1phenylpyrazol3yl)NNdimethylbenzenesulfonamide
3(4((Z)2cyano2(4oxo34dihydroquinazolin2yl)ethenyl)1phenyl1Hpyrazol3yl)NNdimethylbenzenesulfonamide
CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5
InChI=1SC28H22N6O3Sc133(2)38(3637)23128919(1623)2621(1834(3226)22104351122)1520(1729)27302514761324(25)28(35)3127h31618H12H3(H303135)b2015
MFCD18076296
N#CC(=Cc1cn(nc1c1cccc(c1)S(=O)(=O)N(C)C)c1ccccc1)c1nc2ccccc2c(=O)(nH)1
ZINC000097947409
ZINC97947409
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