Vitas-M small molecule compound
(2E)-3-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Catalog ID
STK822664
SMILES N#C/C(=C\c1cn(nc1c1ccc(c(c1)Br)OC)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 C24H21BrN4O4S MW 541.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21BrN4O4S/c1-33-22-8-7-16(12-21(22)25)23-18(14-29(28-23)20-5-3-2-4-6-20)11-17(13-26)24(30)27-19-9-10-34(31,32)15-19/h2-8,11-12,14,19H,9-10,15H2,1H3,(H,27,30)/b17-11+InChIKey
ATSAUMXDCJFPLH-GZTJUZNOSA-NSynonyms
(2E)3(3(3bromo4methoxyphenyl)1phenyl1Hpyrazol4yl)2cyanoN(11dioxidotetrahydrothiophen3yl)prop2enamide
(E)3(3(3bromo4methoxyphenyl)1phenylpyrazol4yl)2cyanoN(11dioxothiolan3yl)prop2enamide
COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3CCS(=O)(=O)C3)C4=CC=CC=C4)Br
InChI=1SC24H21BrN4O4Sc133228716(1221(22)25)2318(1429(2823)205324620)1117(1326)24(30)271991034(3132)1519h2811121419H91015H21H3(H2730)b1711+
MFCD03212282
N#CC(=Cc1cn(nc1c1ccc(c(c1)Br)OC)c1ccccc1)C(=O)NC1CCS(=O)(=O)C1
ZINC000097947101
ZINC000097947102
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