Vitas-M small molecule compound
(2Z)-2-[(1-ethyl-5-methyl-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
STL181707
SMILES CCn1ncc(c1C)/C=c/1\sc2=NC3(CC(n2c1=O)c1ccccc1O3)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 C20H20N4O2S MW 380.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O2S/c1-4-23-12(2)13(11-21-23)9-17-18(25)24-15-10-20(3,22-19(24)27-17)26-16-8-6-5-7-14(15)16/h5-9,11,15H,4,10H2,1-3H3/b17-9-InChIKey
JZYPUZVOOJXSDE-MFOYZWKCSA-NSynonyms
1263039-04-8(2Z)2((1ethyl5methyl1Hpyrazol4yl)methylidene)5methyl5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocin1(2H)one
1263039048
CCN1C(=C(C=N1)C=C2C(=O)N3C4CC(N=C3S2)(OC5=CC=CC=C45)C)C
CCn1ncc(c1C)C=c1sc2=NC3(CC(n2c1=O)c1ccccc1O3)C
InChI=1SC20H20N4O2Sc142312(2)13(112123)91718(25)24151020(32219(24)2717)2616865714(15)16h591115H410H213H3b179
MFCD20760081
ZINC000071785032
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