Vitas-M small molecule compound

(2Z)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile

Catalog ID
STK818202
SMILES N#C/C(=C/c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCCCC1)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 C32H28N6O3S MW 576.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N6O3S/c33-21-24(31-34-29-16-7-6-15-28(29)32(39)35-31)19-25-22-38(26-12-4-3-5-13-26)36-30(25)23-11-10-14-27(20-23)42(40,41)37-17-8-1-2-9-18-37/h3-7,10-16,19-20,22H,1-2,8-9,17-18H2,(H,34,35,39)/b24-19-
InChIKey
PLMSIRORRSVKHE-CLCOLTQESA-N
Synonyms

(2Z)3(3(3(azepan1ylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)2(4oxo34dihydroquinazolin2yl)prop2enenitrile
(Z)3(3(3(azepan1ylsulfonyl)phenyl)1phenylpyrazol4yl)2(4oxo1Hquinazolin2yl)prop2enenitrile
C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C4=NC(=O)C5=CC=CC=C5N4)C6=CC=CC=C6
InChI=1SC32H28N6O3Sc332124(31342916761528(29)32(39)3531)19252238(26124351326)3630(25)2311101427(2023)42(4041)371781291837h371016192022H12891718H2(H343539)b2419
MFCD06643051
N#CC(=Cc1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCCCC1)c1ccccc1)c1nc2ccccc2c(=O)(nH)1
ZINC000097946751
ZINC97946751

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Available files

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