Vitas-M small molecule compound
(5Z)-1,4-dimethyl-2,6-dioxo-5-({1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}methylidene)-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK514831
SMILES CCCSc1ccc(cc1)c1nn(cc1/C=C/1\C(=O)N(C)C(=O)C(=C1C)C#N)c1ccccc1
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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 C27H24N4O2S MW 468.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O2S/c1-4-14-34-22-12-10-19(11-13-22)25-20(17-31(29-25)21-8-6-5-7-9-21)15-23-18(2)24(16-28)27(33)30(3)26(23)32/h5-13,15,17H,4,14H2,1-3H3/b23-15-InChIKey
CKPHUZXTIVRYDO-HAHDFKILSA-NSynonyms
(5Z)14dimethyl26dioxo5((1phenyl3(4(propylsulfanyl)phenyl)1Hpyrazol4yl)methylidene)1256tetrahydropyridine3carbonitrile
(5Z)14dimethyl26dioxo5((1phenyl3(4propylsulfanylphenyl)pyrazol4yl)methylidene)pyridine3carbonitrile
CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=C(C(=O)N(C3=O)C)C#N)C)C4=CC=CC=C4
CCCSc1ccc(cc1)c1nn(cc1C=C1C(=O)N(C)C(=O)C(=C1C)C#N)c1ccccc1
InChI=1SC27H24N4O2Sc14143422121019(111322)2520(1731(2925)218657921)152318(2)24(1628)27(33)30(3)26(23)32h5131517H414H213H3b2315
MFCD06644995
ZINC000016741510
ZINC16741510
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