Vitas-M small molecule compound
(2E)-3-[3-(4-butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(2-methoxyethyl)prop-2-enamide
Catalog ID
STK811490
SMILES CCCCOc1ccc(c(c1)C)c1nn(cc1/C=C(/C(=O)NCCOC)\C#N)c1ccccc1
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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 C27H30N4O3 MW 458.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O3/c1-4-5-14-34-24-11-12-25(20(2)16-24)26-22(17-21(18-28)27(32)29-13-15-33-3)19-31(30-26)23-9-7-6-8-10-23/h6-12,16-17,19H,4-5,13-15H2,1-3H3,(H,29,32)/b21-17+InChIKey
XFDBZFISUTVQPT-HEHNFIMWSA-NSynonyms
(2E)3(3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)2cyanoN(2methoxyethyl)prop2enamide
(E)3(3(4BUTOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)2CYANON(2METHOXYETHYL)PROP2ENAMIDE
CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCOC)C3=CC=CC=C3)C
CCCCOc1ccc(c(c1)C)c1nn(cc1C=C(C(=O)NCCOC)C#N)c1ccccc1
InChI=1SC27H30N4O3c145143424111225(20(2)1624)2622(1721(1828)27(32)291315333)1931(3026)2397681023h612161719H451315H213H3(H2932)b2117+
MFCD06264876
ZINC000016805158
ZINC16805158
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