Vitas-M small molecule compound
(5Z)-5-({3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-1-butyl-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK514848
SMILES CCCCN1C(=O)/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2)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 C34H30N4O3 MW 542.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30N4O3/c1-3-4-19-37-33(39)30(24(2)31(21-35)34(37)40)20-27-22-38(28-13-9-6-10-14-28)36-32(27)26-15-17-29(18-16-26)41-23-25-11-7-5-8-12-25/h5-18,20,22H,3-4,19,23H2,1-2H3/b30-20-InChIKey
WFGRTDCGAIYGHA-COEJQBHMSA-NSynonyms
(5Z)1butyl4methyl26dioxo5((1phenyl3(4phenylmethoxyphenyl)pyrazol4yl)methylidene)pyridine3carbonitrile
(5Z)5((3(4(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)1butyl4methyl26dioxo1256tetrahydropyridine3carbonitrile
CCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5)C(=C(C1=O)C#N)C
CCCCN1C(=O)C(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2)c2ccccc2)C(=C(C1=O)C#N)C
InChI=1SC34H30N4O3c134193733(39)30(24(2)31(2135)34(37)40)20272238(281396101428)3632(27)26151729(181626)412325117581225h5182022H341923H212H3b3020
MFCD06645011
ZINC000097946776
ZINC97946776
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