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}-1,4-dimethyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile

Catalog ID
STK514832
SMILES N#CC1=C(C)/C(=C/c2cn(nc2c2cc(C)c3c(c2)CC(O3)C)c2ccccc2)/C(=O)N(C1=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 C28H24N4O3 MW 464.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O3/c1-16-10-19(12-20-11-17(2)35-26(16)20)25-21(15-32(30-25)22-8-6-5-7-9-22)13-23-18(3)24(14-29)28(34)31(4)27(23)33/h5-10,12-13,15,17H,11H2,1-4H3/b23-13-
InChIKey
XVVLAADDPUHGLO-QRVIBDJDSA-N
Synonyms

(5Z)5((3(27dimethyl23dihydro1benzofuran5yl)1phenyl1Hpyrazol4yl)methylidene)14dimethyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)5((3(27DIMETHYL23DIHYDRO1BENZOFURAN5YL)1PHENYLPYRAZOL4YL)METHYLIDENE)14DIMETHYL26DIOXOPYRIDINE3CARBONITRILE
(E)5((3(27dimethyl23dihydrobenzofuran5yl)1phenyl1Hpyrazol4yl)methylene)14dimethyl26dioxo1256tetrahydropyridine3carbonitrile
CC1CC2=C(O1)C(=CC(=C2)C3=NN(C=C3C=C4C(=C(C(=O)N(C4=O)C)C#N)C)C5=CC=CC=C5)C
InChI=1SC28H24N4O3c1161019(12201117(2)3526(16)20)2521(1532(3025)228657922)132318(3)24(1429)28(34)31(4)27(23)33h51012131517H11H214H3b2313
MFCD06644996
N#CC1=C(C)C(=Cc2cn(nc2c2cc(C)c3c(c2)CC(O3)C)c2ccccc2)C(=O)N(C1=O)C
ZINC000026962587
ZINC000026962597

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Available files

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