Vitas-M small molecule compound
(5Z)-4-methyl-5-({3-[2-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2,6-dioxo-1-propyl-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK819589
SMILES CCCN1C(=O)/C(=C\c2cn(nc2c2ccc(cc2C)OCC=C)c2ccccc2)/C(=C(C1=O)C#N)C
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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 C30H28N4O3 MW 492.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O3/c1-5-14-33-29(35)26(21(4)27(18-31)30(33)36)17-22-19-34(23-10-8-7-9-11-23)32-28(22)25-13-12-24(16-20(25)3)37-15-6-2/h6-13,16-17,19H,2,5,14-15H2,1,3-4H3/b26-17-InChIKey
JMNAVPHIHROVEQ-ONUIUJJFSA-NSynonyms
(5Z)4methyl5((3(2methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)26dioxo1propyl1256tetrahydropyridine3carbonitrile
(5Z)4methyl5((3(2methyl4prop2enoxyphenyl)1phenylpyrazol4yl)methylidene)26dioxo1propylpyridine3carbonitrile
CCCN1C(=O)C(=CC2=CN(N=C2C3=C(C=C(C=C3)OCC=C)C)C4=CC=CC=C4)C(=C(C1=O)C#N)C
CCCN1C(=O)C(=Cc2cn(nc2c2ccc(cc2C)OCC=C)c2ccccc2)C(=C(C1=O)C#N)C
InChI=1SC30H28N4O3c15143329(35)26(21(4)27(1831)30(33)36)17221934(23108791123)3228(22)25131224(1620(25)3)371562h613161719H251415H2134H3b2617
MFCD04448498
ZINC000016741252
ZINC16741252
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