Vitas-M small molecule compound
3-[(3Z)-3-{[5-(4-acetylphenyl)furan-2-yl]methylidene}-5-cyano-4-methyl-2,6-dioxo-3,6-dihydropyridin-1(2H)-yl]propyl acetate
Catalog ID
STK908189
SMILES N#CC1=C(C)/C(=C/c2ccc(o2)c2ccc(cc2)C(=O)C)/C(=O)N(C1=O)CCCOC(=O)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 C25H22N2O6 MW 446.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O6/c1-15-21(24(30)27(25(31)22(15)14-26)11-4-12-32-17(3)29)13-20-9-10-23(33-20)19-7-5-18(6-8-19)16(2)28/h5-10,13H,4,11-12H2,1-3H3/b21-13-InChIKey
GBOPRUHOCJEJJC-BKUYFWCQSA-NSynonyms
3((3Z)3((5(4acetylphenyl)furan2yl)methylidene)5cyano4methyl26dioxo36dihydropyridin1(2H)yl)propylacetate
3((3Z)3((5(4acetylphenyl)furan2yl)methylidene)5cyano4methyl26dioxopyridin1yl)propylacetate
CC1=C(C(=O)N(C(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)C)CCCOC(=O)C)C#N
InChI=1SC25H22N2O6c11521(24(30)27(25(31)22(15)1426)114123217(3)29)132091023(3320)197518(6819)16(2)28h51013H41112H213H3b2113
MFCD18175436
N#CC1=C(C)C(=Cc2ccc(o2)c2ccc(cc2)C(=O)C)C(=O)N(C1=O)CCCOC(=O)C
ZINC000016752345
ZINC16752345
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