Vitas-M small molecule compound
(5E)-1-(3-hydroxypropyl)-5-{[3-(4-methoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK515351
SMILES OCCCN1C(=O)/C(=C/c2cn(nc2c2ccc(cc2C)OC)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 C28H26N4O4 MW 482.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O4/c1-18-14-22(36-3)10-11-23(18)26-20(17-32(30-26)21-8-5-4-6-9-21)15-24-19(2)25(16-29)28(35)31(27(24)34)12-7-13-33/h4-6,8-11,14-15,17,33H,7,12-13H2,1-3H3/b24-15+InChIKey
JRRNPMUYZQIACB-BUVRLJJBSA-NSynonyms
(5E)1(3hydroxypropyl)5((3(4methoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5E)1(3hydroxypropyl)5((3(4methoxy2methylphenyl)1phenylpyrazol4yl)methylidene)4methyl26dioxopyridine3carbonitrile
CC1=C(C=CC(=C1)OC)C2=NN(C=C2C=C3C(=C(C(=O)N(C3=O)CCCO)C#N)C)C4=CC=CC=C4
InChI=1SC28H26N4O4c1181422(363)101123(18)2620(1732(3026)218546921)152419(2)25(1629)28(35)31(27(24)34)1271333h4681114151733H71213H213H3b2415+
MFCD06645216
OCCCN1C(=O)C(=Cc2cn(nc2c2ccc(cc2C)OC)c2ccccc2)C(=C(C1=O)C#N)C
ZINC000100951227
ZINC100951227
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