Vitas-M small molecule compound
(2Z)-2-cyano-3-[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-methoxyphenyl)prop-2-enamide
Catalog ID
STK800830
SMILES CCOc1ccc(cc1C)c1nn(cc1/C=C(\C(=O)Nc1cccc(c1)OC)/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 C29H26N4O3 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O3/c1-4-36-27-14-13-21(15-20(27)2)28-23(19-33(32-28)25-10-6-5-7-11-25)16-22(18-30)29(34)31-24-9-8-12-26(17-24)35-3/h5-17,19H,4H2,1-3H3,(H,31,34)/b22-16-InChIKey
WRPULUUUMLZDND-JWGURIENSA-NSynonyms
(2Z)2cyano3(3(4ethoxy3methylphenyl)1phenyl1Hpyrazol4yl)N(3methoxyphenyl)prop2enamide
(Z)2cyano3(3(4ethoxy3methylphenyl)1phenylpyrazol4yl)N(3methoxyphenyl)prop2enamide
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3=CC(=CC=C3)OC)C4=CC=CC=C4)C
CCOc1ccc(cc1C)c1nn(cc1C=C(C(=O)Nc1cccc(c1)OC)C#N)c1ccccc1
InChI=1SC29H26N4O3c143627141321(1520(27)2)2823(1933(3228)25106571125)1622(1830)29(34)3124981226(1724)353h51719H4H213H3(H3134)b2216
MFCD04447191
ZINC000016735947
ZINC16735947
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