Vitas-M small molecule compound
2-[(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]ethyl acetate
Catalog ID
STK908812
SMILES CCOc1ccc(cc1)c1nn(cc1/C=C/1\C(=O)N(CCOC(=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 C29H26N4O5 MW 510.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O5/c1-4-37-24-12-10-21(11-13-24)27-22(18-33(31-27)23-8-6-5-7-9-23)16-25-19(2)26(17-30)29(36)32(28(25)35)14-15-38-20(3)34/h5-13,16,18H,4,14-15H2,1-3H3/b25-16-InChIKey
SVXDAUWVCMRDBX-XYGWBWBKSA-NSynonyms
2((3Z)5cyano3((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4methyl26dioxo36dihydropyridin1(2H)yl)ethylacetate
2((5Z)3cyano5((3(4ethoxyphenyl)1phenylpyrazol4yl)methylidene)4methyl26dioxopyridin1yl)ethylacetate
CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=C(C(=O)N(C3=O)CCOC(=O)C)C#N)C)C4=CC=CC=C4
CCOc1ccc(cc1)c1nn(cc1C=C1C(=O)N(CCOC(=O)C)C(=O)C(=C1C)C#N)c1ccccc1
InChI=1SC29H26N4O5c143724121021(111324)2722(1833(3127)238657923)162519(2)26(1730)29(36)32(28(25)35)14153820(3)34h5131618H41415H213H3b2516
MFCD06648100
ZINC000016753048
ZINC16753048
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