Vitas-M small molecule compound
(2E)-2-cyano-3-{3-[2-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(pyridin-3-ylmethyl)prop-2-enamide
Catalog ID
STK811548
SMILES C=CCOc1ccc(c(c1)C)c1nn(cc1/C=C(/C(=O)NCc1cccnc1)\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 C29H25N5O2 MW 475.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N5O2/c1-3-14-36-26-11-12-27(21(2)15-26)28-24(20-34(33-28)25-9-5-4-6-10-25)16-23(17-30)29(35)32-19-22-8-7-13-31-18-22/h3-13,15-16,18,20H,1,14,19H2,2H3,(H,32,35)/b23-16+InChIKey
KBJRCHKTMZUGIU-XQNSMLJCSA-NSynonyms
(2E)2cyano3(3(2methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)N(pyridin3ylmethyl)prop2enamide
(E)2CYANO3(3(2METHYL4PROP2ENOXYPHENYL)1PHENYLPYRAZOL4YL)N(PYRIDIN3YLMETHYL)PROP2ENAMIDE
C=CCOc1ccc(c(c1)C)c1nn(cc1C=C(C(=O)NCc1cccnc1)C#N)c1ccccc1
CC1=C(C=CC(=C1)OCC=C)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4
InChI=1SC29H25N5O2c13143626111227(21(2)1526)2824(2034(3328)2595461025)1623(1730)29(35)3219228713311822h31315161820H11419H22H3(H3235)b2316+
MFCD06264893
ZINC000016805159
ZINC16805159
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