Vitas-M small molecule compound
(2E)-13-acetyl-2-[(1,5-dimethyl-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
STL403032
SMILES CC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C\c2cnn(c2C)C)/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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-11-13(10-22-24(11)4)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/h5-10,17-18H,1-4H3/b16-9+InChIKey
BVHZBVIBTBWRCE-CXUHLZMHSA-NSynonyms
1025651-70-0(2E)13acetyl2((15dimethyl1Hpyrazol4yl)methylidene)5methyl5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocin1(2H)one
1025651700
CC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2cnn(c2C)C)s1
CC1=C(C=NN1C)C=C2C(=O)N3C4C(C(N=C3S2)(OC5=CC=CC=C45)C)C(=O)C
InChI=1SC21H20N4O3Sc11113(102224(11)4)91619(27)251814756815(14)2821(317(18)12(2)26)2320(25)2916h5101718H14H3b169+
MFCD04048784
ZINC000105263282
ZINC000105263287
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