Vitas-M small molecule compound
(2E)-13-acetyl-2-[(1-ethyl-1H-pyrazol-3-yl)methylidene]-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
Catalog ID
STL403767
SMILES CCn1ccc(n1)/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/c1-4-24-10-9-13(23-24)11-16-19(27)25-18-14-7-5-6-8-15(14)28-21(3,17(18)12(2)26)22-20(25)29-16/h5-11,17-18H,4H2,1-3H3/b16-11+InChIKey
XCMWWRWNKMTSRB-LFIBNONCSA-NSynonyms
1025302-05-9(2E)13acetyl2((1ethyl1Hpyrazol3yl)methylidene)5methyl5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocin1(2H)one
1025302059
CCN1C=CC(=N1)C=C2C(=O)N3C4C(C(N=C3S2)(OC5=CC=CC=C45)C)C(=O)C
CCn1ccc(n1)C=c1sc2=NC3(C(C(n2c1=O)c1ccccc1O3)C(=O)C)C
InChI=1SC21H20N4O3Sc142410913(2324)111619(27)251814756815(14)2821(317(18)12(2)26)2220(25)2916h5111718H4H213H3b1611+
MFCD04045970
ZINC000006490330
ZINC000006490331
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