Vitas-M small molecule compound
(5Z)-1-ethyl-4-methyl-2,6-dioxo-5-({1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}methylidene)-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK514845
SMILES CCCSc1ccc(cc1)c1nn(cc1/C=C/1\C(=O)N(CC)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 C28H26N4O2S MW 482.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O2S/c1-4-15-35-23-13-11-20(12-14-23)26-21(18-32(30-26)22-9-7-6-8-10-22)16-24-19(3)25(17-29)28(34)31(5-2)27(24)33/h6-14,16,18H,4-5,15H2,1-3H3/b24-16-InChIKey
NWOXLTAJEFDAEI-JLPGSUDCSA-NSynonyms
(5Z)1ethyl4methyl26dioxo5((1phenyl3(4(propylsulfanyl)phenyl)1Hpyrazol4yl)methylidene)1256tetrahydropyridine3carbonitrile
(5Z)1ethyl4methyl26dioxo5((1phenyl3(4propylsulfanylphenyl)pyrazol4yl)methylidene)pyridine3carbonitrile
CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=C(C(=O)N(C3=O)CC)C#N)C)C4=CC=CC=C4
CCCSc1ccc(cc1)c1nn(cc1C=C1C(=O)N(CC)C(=O)C(=C1C)C#N)c1ccccc1
InChI=1SC28H26N4O2Sc14153523131120(121423)2621(1832(3026)2297681022)162419(3)25(1729)28(34)31(52)27(24)33h6141618H4515H213H3b2416
MFCD06645008
ZINC000016741521
ZINC16741521
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