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}-4-methyl-2,6-dioxo-1-pentyl-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK514861
SMILES CCCCCN1C(=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 C32H32N4O3 MW 520.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N4O3/c1-5-6-10-13-35-31(37)27(22(4)28(18-33)32(35)38)17-25-19-36(26-11-8-7-9-12-26)34-29(25)23-14-20(2)30-24(16-23)15-21(3)39-30/h7-9,11-12,14,16-17,19,21H,5-6,10,13,15H2,1-4H3/b27-17-InChIKey
HEUNEABXWFMPCN-PKAZHMFMSA-NSynonyms
(5Z)5((3(27dimethyl23dihydro1benzofuran5yl)1phenyl1Hpyrazol4yl)methylidene)4methyl26dioxo1pentyl1256tetrahydropyridine3carbonitrile
(5Z)5((3(27dimethyl23dihydro1benzofuran5yl)1phenylpyrazol4yl)methylidene)4methyl26dioxo1pentylpyridine3carbonitrile
CCCCCN1C(=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
CCCCCN1C(=O)C(=Cc2cn(nc2c2cc(C)c3c(c2)CC(O3)C)c2ccccc2)C(=C(C1=O)C#N)C
InChI=1SC32H32N4O3c15610133531(37)27(22(4)28(1833)32(35)38)17251936(26118791226)3429(25)231420(2)3024(1623)1521(3)3930h7911121416171921H56101315H214H3b2717
MFCD06645024
ZINC000016741535
ZINC000016741536
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