Vitas-M small molecule compound
(5Z)-5-{[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-1-ethyl-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK514846
SMILES CCN1C(=O)/C(=C\c2cn(nc2c2cc(C)c3c(c2)CC(O3)C)c2ccccc2)/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 C29H26N4O3 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O3/c1-5-32-28(34)24(19(4)25(15-30)29(32)35)14-22-16-33(23-9-7-6-8-10-23)31-26(22)20-11-17(2)27-21(13-20)12-18(3)36-27/h6-11,13-14,16,18H,5,12H2,1-4H3/b24-14-InChIKey
BHDYGKXZMUAJLZ-OYKKKHCWSA-NSynonyms
(5Z)5((3(27dimethyl23dihydro1benzofuran5yl)1phenyl1Hpyrazol4yl)methylidene)1ethyl4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)5((3(27DIMETHYL23DIHYDRO1BENZOFURAN5YL)1PHENYLPYRAZOL4YL)METHYLIDENE)1ETHYL4METHYL26DIOXOPYRIDINE3CARBONITRILE
(E)5((3(27dimethyl23dihydrobenzofuran5yl)1phenyl1Hpyrazol4yl)methylene)1ethyl4methyl26dioxo1256tetrahydropyridine3carbonitrile
CCN1C(=O)C(=CC2=CN(N=C2C3=CC4=C(C(=C3)C)OC(C4)C)C5=CC=CC=C5)C(=C(C1=O)C#N)C
CCN1C(=O)C(=Cc2cn(nc2c2cc(C)c3c(c2)CC(O3)C)c2ccccc2)C(=C(C1=O)C#N)C
InChI=1SC29H26N4O3c153228(34)24(19(4)25(1530)29(32)35)14221633(2397681023)3126(22)201117(2)2721(1320)1218(3)3627h61113141618H512H214H3b2414
MFCD06645009
ZINC000026962606
ZINC000026962616
Check stock
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Check stock on Vitas-MAvailable files
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