Vitas-M small molecule compound
(2Z)-2-[(4-methylpiperazin-1-yl)carbonyl]-3-[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]prop-2-enenitrile
Catalog ID
STK703157
SMILES CCCOc1ccc(cc1)c1nn(cc1/C=C(\C(=O)N1CCN(CC1)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 C27H29N5O2 MW 455.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O2/c1-3-17-34-25-11-9-21(10-12-25)26-23(20-32(29-26)24-7-5-4-6-8-24)18-22(19-28)27(33)31-15-13-30(2)14-16-31/h4-12,18,20H,3,13-17H2,1-2H3/b22-18-InChIKey
XXGPAOLYHPIMSH-PYCFMQQDSA-NSynonyms
(2Z)2((4methylpiperazin1yl)carbonyl)3(1phenyl3(4propoxyphenyl)1Hpyrazol4yl)prop2enenitrile
(E)2(4methylpiperazine1carbonyl)3(1phenyl3(4propoxyphenyl)1Hpyrazol4yl)acrylonitrile
(Z)2(4METHYLPIPERAZINE1CARBONYL)3(1PHENYL3(4PROPOXYPHENYL)PYRAZOL4YL)PROP2ENENITRILE
CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCN(CC3)C)C4=CC=CC=C4
CCCOc1ccc(cc1)c1nn(cc1C=C(C(=O)N1CCN(CC1)C)C#N)c1ccccc1
InChI=1SC27H29N5O2c1317342511921(101225)2623(2032(2926)247546824)1822(1928)27(33)31151330(2)141631h4121820H31317H212H3b2218
MFCD04445718
ZINC000015229558
ZINC15229558
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