Vitas-M small molecule compound
(5Z)-1-butyl-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
STK514852
SMILES CCCCN1C(=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 C30H30N4O2S MW 510.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N4O2S/c1-4-6-16-33-29(35)26(21(3)27(19-31)30(33)36)18-23-20-34(24-10-8-7-9-11-24)32-28(23)22-12-14-25(15-13-22)37-17-5-2/h7-15,18,20H,4-6,16-17H2,1-3H3/b26-18-InChIKey
YSMHBHWORXCBCI-ITYLOYPMSA-NSynonyms
(5Z)1butyl4methyl26dioxo5((1phenyl3(4(propylsulfanyl)phenyl)1Hpyrazol4yl)methylidene)1256tetrahydropyridine3carbonitrile
(5Z)1butyl4methyl26dioxo5((1phenyl3(4propylsulfanylphenyl)pyrazol4yl)methylidene)pyridine3carbonitrile
CCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)SCCC)C4=CC=CC=C4)C(=C(C1=O)C#N)C
CCCCN1C(=O)C(=Cc2cn(nc2c2ccc(cc2)SCCC)c2ccccc2)C(=C(C1=O)C#N)C
InChI=1SC30H30N4O2Sc146163329(35)26(21(3)27(1931)30(33)36)18232034(24108791124)3228(23)22121425(151322)371752h7151820H461617H213H3b2618
MFCD06645015
ZINC000016741527
ZINC16741527
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