Vitas-M small molecule compound
(5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-5-({[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]amino}methylidene)-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK630948
SMILES N#CC1=C(C)/C(=C/Nc2ccc(cc2)Cn2cncn2)/C(=O)N(C1=O)C1CCS(=O)(=O)C1
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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 C21H20N6O4S MW 452.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6O4S/c1-14-18(8-22)20(28)27(17-6-7-32(30,31)11-17)21(29)19(14)9-24-16-4-2-15(3-5-16)10-26-13-23-12-25-26/h2-5,9,12-13,17,24H,6-7,10-11H2,1H3/b19-9-InChIKey
KRLIRDPWSAVRMK-OCKHKDLRSA-NSynonyms
(5Z)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo5(((4(1H124triazol1ylmethyl)phenyl)amino)methylidene)1256tetrahydropyridine3carbonitrile
(5Z)1(11dioxothiolan3yl)4methyl26dioxo5((4(124triazol1ylmethyl)anilino)methylidene)pyridine3carbonitrile
(Z)5(((4((1H124triazol1yl)methyl)phenyl)amino)methylene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
CC1=C(C(=O)N(C(=O)C1=CNC2=CC=C(C=C2)CN3C=NC=N3)C4CCS(=O)(=O)C4)C#N
InChI=1SC21H20N6O4Sc11418(822)20(28)27(176732(3031)1117)21(29)19(14)924164215(3516)10261323122526h25912131724H671011H21H3b199
MFCD09793016
N#CC1=C(C)C(=CNc2ccc(cc2)Cn2cncn2)C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000009423588
ZINC000009423589
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