Vitas-M small molecule compound
(2Z)-2-cyano-N-(3-methoxypropyl)-3-{3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide
Catalog ID
STK823518
SMILES COCCCNC(=O)/C(=C\c1cn(nc1c1ccc(c(c1)C)OCC=C)c1ccccc1)/C#N
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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 C27H28N4O3 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3/c1-4-14-34-25-12-11-21(16-20(25)2)26-23(19-31(30-26)24-9-6-5-7-10-24)17-22(18-28)27(32)29-13-8-15-33-3/h4-7,9-12,16-17,19H,1,8,13-15H2,2-3H3,(H,29,32)/b22-17-InChIKey
LBXNGHHILFADDZ-XLNRJJMWSA-NSynonyms
(2Z)2cyanoN(3methoxypropyl)3(3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)prop2enamide
(Z)2cyanoN(3methoxypropyl)3(3(3methyl4prop2enoxyphenyl)1phenylpyrazol4yl)prop2enamide
CC1=C(C=CC(=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCCOC)C3=CC=CC=C3)OCC=C
COCCCNC(=O)C(=Cc1cn(nc1c1ccc(c(c1)C)OCC=C)c1ccccc1)C#N
InChI=1SC27H28N4O3c14143425121121(1620(25)2)2623(1931(3026)2496571024)1722(1828)27(32)2913815333h47912161719H181315H223H3(H2932)b2217
MFCD03464021
ZINC000027019926
ZINC27019926
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