Vitas-M small molecule compound
3-[(3Z)-5-cyano-3-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-methyl-2,6-dioxo-3,6-dihydropyridin-1(2H)-yl]propyl acetate
Catalog ID
STK908190
SMILES N#CC1=C(C)/C(=C/c2cn(nc2c2ccc(c(c2)OC)OC)c2ccccc2)/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 C30H28N4O6 MW 540.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O6/c1-19-24(29(36)33(30(37)25(19)17-31)13-8-14-40-20(2)35)15-22-18-34(23-9-6-5-7-10-23)32-28(22)21-11-12-26(38-3)27(16-21)39-4/h5-7,9-12,15-16,18H,8,13-14H2,1-4H3/b24-15-InChIKey
SSOZULXOWFOBGJ-IWIPYMOSSA-NSynonyms
3((3Z)5cyano3((3(34dimethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4methyl26dioxo36dihydropyridin1(2H)yl)propylacetate
3((5Z)3cyano5((3(34dimethoxyphenyl)1phenylpyrazol4yl)methylidene)4methyl26dioxopyridin1yl)propylacetate
CC1=C(C(=O)N(C(=O)C1=CC2=CN(N=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4)CCCOC(=O)C)C#N
InChI=1SC30H28N4O6c11924(29(36)33(30(37)25(19)1731)138144020(2)35)15221834(2396571023)3228(22)21111226(383)27(1621)394h57912151618H81314H214H3b2415
MFCD06647656
N#CC1=C(C)C(=Cc2cn(nc2c2ccc(c(c2)OC)OC)c2ccccc2)C(=O)N(C1=O)CCCOC(=O)C
ZINC000097946881
ZINC97946881
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