Vitas-M small molecule compound
(5Z)-4-methyl-2,6-dioxo-1-pentyl-5-({1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}methylidene)-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK514855
SMILES CCCCCN1C(=O)/C(=C\c2cn(nc2c2ccc(cc2)SCCC)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 C31H32N4O2S MW 524.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N4O2S/c1-4-6-10-17-34-30(36)27(22(3)28(20-32)31(34)37)19-24-21-35(25-11-8-7-9-12-25)33-29(24)23-13-15-26(16-14-23)38-18-5-2/h7-9,11-16,19,21H,4-6,10,17-18H2,1-3H3/b27-19-InChIKey
GYNRXKQSCVIWQH-DIBXZPPDSA-NSynonyms
(5Z)4methyl26dioxo1pentyl5((1phenyl3(4(propylsulfanyl)phenyl)1Hpyrazol4yl)methylidene)1256tetrahydropyridine3carbonitrile
(5Z)4methyl26dioxo1pentyl5((1phenyl3(4propylsulfanylphenyl)pyrazol4yl)methylidene)pyridine3carbonitrile
CCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)SCCC)C4=CC=CC=C4)C(=C(C1=O)C#N)C
CCCCCN1C(=O)C(=Cc2cn(nc2c2ccc(cc2)SCCC)c2ccccc2)C(=C(C1=O)C#N)C
InChI=1SC31H32N4O2Sc14610173430(36)27(22(3)28(2032)31(34)37)19242135(25118791225)3329(24)23131526(161423)381852h7911161921H46101718H213H3b2719
MFCD06645018
ZINC000016741530
ZINC16741530
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