Vitas-M small molecule compound
(2E)-3-[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
Catalog ID
STK810210
SMILES CCCCOc1ccc(cc1)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 C29H27N5O2 MW 477.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O2/c1-2-3-16-36-27-13-11-23(12-14-27)28-25(21-34(33-28)26-9-5-4-6-10-26)17-24(18-30)29(35)32-20-22-8-7-15-31-19-22/h4-15,17,19,21H,2-3,16,20H2,1H3,(H,32,35)/b24-17+InChIKey
ZKBNMGWKFKTJSJ-JJIBRWJFSA-NSynonyms
(2E)3(3(4butoxyphenyl)1phenyl1Hpyrazol4yl)2cyanoN(pyridin3ylmethyl)prop2enamide
(E)3(3(4BUTOXYPHENYL)1PHENYLPYRAZOL4YL)2CYANON(PYRIDIN3YLMETHYL)PROP2ENAMIDE
CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4
CCCCOc1ccc(cc1)c1nn(cc1C=C(C(=O)NCc1cccnc1)C#N)c1ccccc1
InChI=1SC29H27N5O2c123163627131123(121427)2825(2134(3328)2695461026)1724(1830)29(35)3220228715311922h415171921H231620H21H3(H3235)b2417+
MFCD03462488
ZINC000016700993
ZINC16700993
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