Vitas-M small molecule compound
1-{[(5E)-5-(ethylimino)-2-hydroxy-1,3,4-thiadiazolidin-2-yl]methyl}-4-(methoxymethyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Catalog ID
STL368205
SMILES COCc1cc(C)n(c(=O)c1C#N)CC1(O)NN/C(=N\CC)/S1
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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 C14H19N5O3S MW 337.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19N5O3S/c1-4-16-13-17-18-14(21,23-13)8-19-9(2)5-10(7-22-3)11(6-15)12(19)20/h5,18,21H,4,7-8H2,1-3H3,(H,16,17)InChIKey
DBRSQYBZSCATCF-UHFFFAOYSA-NSynonyms
1(((5E)5(ethylimino)2hydroxy134thiadiazolidin2yl)methyl)4(methoxymethyl)6methyl2oxo12dihydropyridine3carbonitrile
1((5(ethylamino)2hydroxy3H134thiadiazol2yl)methyl)4(methoxymethyl)6methyl2oxopyridine3carbonitrile
CCNC1=NNC(S1)(CN2C(=CC(=C(C2=O)C#N)COC)C)O
COCc1cc(C)n(c(=O)c1C#N)CC1(O)NNC(=NCC)S1
InChI=1SC14H19N5O3Sc141613171814(212313)8199(2)510(7223)11(615)12(19)20h51821H478H213H3(H1617)
MFCD28952066
ZINC000096265825
ZINC000096265826
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