Vitas-M small molecule compound
(5E)-5-{[5-(9,10-dioxo-9,10-dihydroanthracen-2-yl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-1-propyl-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK143736
SMILES CCCN1C(=O)/C(=C/c2ccc(o2)c2ccc3c(c2)C(=O)c2c(C3=O)cccc2)/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 C29H20N2O5 MW 476.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20N2O5/c1-3-12-31-28(34)22(16(2)24(15-30)29(31)35)14-18-9-11-25(36-18)17-8-10-21-23(13-17)27(33)20-7-5-4-6-19(20)26(21)32/h4-11,13-14H,3,12H2,1-2H3/b22-14+InChIKey
YAAKRAUMXBQDSN-HYARGMPZSA-NSynonyms
(5E)5((5(910dioxo910dihydroanthracen2yl)furan2yl)methylidene)4methyl26dioxo1propyl1256tetrahydropyridine3carbonitrile
(5E)5((5(910DIOXOANTHRACEN2YL)FURAN2YL)METHYLIDENE)4METHYL26DIOXO1PROPYLPYRIDINE3CARBONITRILE
CCCN1C(=O)C(=CC2=CC=C(O2)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)C(=C(C1=O)C#N)C
CCCN1C(=O)C(=Cc2ccc(o2)c2ccc3c(c2)C(=O)c2c(C3=O)cccc2)C(=C(C1=O)C#N)C
InChI=1SC29H20N2O5c13123128(34)22(16(2)24(1530)29(31)35)141891125(3618)178102123(1317)27(33)20754619(20)26(21)32h4111314H312H212H3b2214+
MFCD07546794
ZINC000030760487
ZINC30760487
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