Vitas-M small molecule compound
3-[(3Z)-5-cyano-3-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-methyl-2,6-dioxo-3,6-dihydropyridin-1(2H)-yl]propyl acetate
Catalog ID
STK908185
SMILES CCOc1ccc(cc1)c1nn(cc1/C=C/1\C(=O)N(CCCOC(=O)C)C(=O)C(=C1C)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 C30H28N4O5 MW 524.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O5/c1-4-38-25-13-11-22(12-14-25)28-23(19-34(32-28)24-9-6-5-7-10-24)17-26-20(2)27(18-31)30(37)33(29(26)36)15-8-16-39-21(3)35/h5-7,9-14,17,19H,4,8,15-16H2,1-3H3/b26-17-InChIKey
CTYGSFFTKGZYBH-ONUIUJJFSA-NSynonyms
3((3Z)5cyano3((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4methyl26dioxo36dihydropyridin1(2H)yl)propylacetate
3((5Z)3cyano5((3(4ethoxyphenyl)1phenylpyrazol4yl)methylidene)4methyl26dioxopyridin1yl)propylacetate
CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=C(C(=O)N(C3=O)CCCOC(=O)C)C#N)C)C4=CC=CC=C4
CCOc1ccc(cc1)c1nn(cc1C=C1C(=O)N(CCCOC(=O)C)C(=O)C(=C1C)C#N)c1ccccc1
InChI=1SC30H28N4O5c143825131122(121425)2823(1934(3228)2496571024)172620(2)27(1831)30(37)33(29(26)36)158163921(3)35h579141719H481516H213H3b2617
MFCD06647652
ZINC000016752334
ZINC16752334
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