Vitas-M small molecule compound
(2E)-3-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Catalog ID
STK821916
SMILES N#C/C(=C\c1cn(nc1c1ccc(cc1)Br)c1ccccc1)/C(=O)NC1CCS(=O)(=O)C1
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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 C23H19BrN4O3S MW 511.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrN4O3S/c24-19-8-6-16(7-9-19)22-18(14-28(27-22)21-4-2-1-3-5-21)12-17(13-25)23(29)26-20-10-11-32(30,31)15-20/h1-9,12,14,20H,10-11,15H2,(H,26,29)/b17-12+InChIKey
RPLCUHORCSFTBG-SFQUDFHCSA-NSynonyms
(2E)3(3(4bromophenyl)1phenyl1Hpyrazol4yl)2cyanoN(11dioxidotetrahydrothiophen3yl)prop2enamide
(E)3(3(4bromophenyl)1phenylpyrazol4yl)2cyanoN(11dioxothiolan3yl)prop2enamide
C1CS(=O)(=O)CC1NC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N
InChI=1SC23H19BrN4O3Sc24198616(7919)2218(1428(2722)214213521)1217(1325)23(29)2620101132(3031)1520h19121420H101115H2(H2629)b1712+
MFCD03463124
N#CC(=Cc1cn(nc1c1ccc(cc1)Br)c1ccccc1)C(=O)NC1CCS(=O)(=O)C1
ZINC000026966729
ZINC000026966737
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