Vitas-M small molecule compound
(2Z)-13-acetyl-2-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
Catalog ID
STK309294
SMILES CCn1ncc(c1)/C=c/1\sc2=NC3(C(C(n2c1=O)c1ccccc1O3)C(=O)C)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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-4-24-11-13(10-22-24)9-16-19(27)25-18-14-7-5-6-8-15(14)28-21(3,17(18)12(2)26)23-20(25)29-16/h5-11,17-18H,4H2,1-3H3/b16-9-InChIKey
SOPKFEYMKYRCRK-SXGWCWSVSA-NSynonyms
1024890-58-1(2Z)13acetyl2((1ethyl1Hpyrazol4yl)methylidene)5methyl5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocin1(2H)one
1024890581
CCN1C=C(C=N1)C=C2C(=O)N3C4C(C(N=C3S2)(OC5=CC=CC=C45)C)C(=O)C
CCn1ncc(c1)C=c1sc2=NC3(C(C(n2c1=O)c1ccccc1O3)C(=O)C)C
InChI=1SC21H20N4O3Sc14241113(102224)91619(27)251814756815(14)2821(317(18)12(2)26)2320(25)2916h5111718H4H213H3b169
MFCD04052493
ZINC000002800263
ZINC000006490298
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