Vitas-M small molecule compound
(2E)-2-cyano-3-{3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(1-phenylethyl)prop-2-enamide
Catalog ID
STK799028
SMILES CCCCCCOc1ccc(cc1)c1nn(cc1/C=C(/C(=O)NC(c1ccccc1)C)\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 C33H34N4O2 MW 518.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N4O2/c1-3-4-5-12-21-39-31-19-17-27(18-20-31)32-29(24-37(36-32)30-15-10-7-11-16-30)22-28(23-34)33(38)35-25(2)26-13-8-6-9-14-26/h6-11,13-20,22,24-25H,3-5,12,21H2,1-2H3,(H,35,38)/b28-22+InChIKey
BJMJXVDKFVENMF-XAYXJRQQSA-NSynonyms
(2E)2cyano3(3(4(hexyloxy)phenyl)1phenyl1Hpyrazol4yl)N(1phenylethyl)prop2enamide
(E)2CYANO3(3(4HEXOXYPHENYL)1PHENYLPYRAZOL4YL)N(1PHENYLETHYL)PROP2ENAMIDE
CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC(C)C3=CC=CC=C3)C4=CC=CC=C4
CCCCCCOc1ccc(cc1)c1nn(cc1C=C(C(=O)NC(c1ccccc1)C)C#N)c1ccccc1
InChI=1SC33H34N4O2c134512213931191727(182031)3229(2437(3632)3015107111630)2228(2334)33(38)3525(2)26138691426h6111320222425H351221H212H3(H3538)b2822+
MFCD03462216
ZINC000016700675
ZINC000016700679
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