Vitas-M small molecule compound
(2Z)-2-cyano-N-(3-methoxypropyl)-3-{3-[2-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide
Catalog ID
STK811573
SMILES COCCCNC(=O)/C(=C\c1cn(nc1c1ccc(cc1C)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/c1-4-14-34-24-11-12-25(20(2)16-24)26-22(19-31(30-26)23-9-6-5-7-10-23)17-21(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)/b21-17-InChIKey
KHPOPSJLQYGIQZ-FXBPSFAMSA-NSynonyms
(2Z)2cyanoN(3methoxypropyl)3(3(2methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)prop2enamide
(Z)2cyanoN(3methoxypropyl)3(3(2methyl4prop2enoxyphenyl)1phenylpyrazol4yl)prop2enamide
CC1=C(C=CC(=C1)OCC=C)C2=NN(C=C2C=C(C#N)C(=O)NCCCOC)C3=CC=CC=C3
COCCCNC(=O)C(=Cc1cn(nc1c1ccc(cc1C)OCC=C)c1ccccc1)C#N
InChI=1SC27H28N4O3c14143424111225(20(2)1624)2622(1931(3026)2396571023)1721(1828)27(32)2913815333h47912161719H181315H223H3(H2932)b2117
MFCD06264908
ZINC000016805161
ZINC16805161
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