Vitas-M small molecule compound
(2Z)-5-methyl-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
Catalog ID
STL181706
SMILES Cc1nn(c(c1/C=c/1\sc2=NC3(CC(n2c1=O)c1ccccc1O3)C)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 C20H20N4O2S MW 380.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O2S/c1-11-14(12(2)23(4)22-11)9-17-18(25)24-15-10-20(3,21-19(24)27-17)26-16-8-6-5-7-13(15)16/h5-9,15H,10H2,1-4H3/b17-9-InChIKey
UCVPCYJBRDHFRD-MFOYZWKCSA-NSynonyms
1263038-70-5(2Z)5methyl2((135trimethyl1Hpyrazol4yl)methylidene)5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocin1(2H)one
1263038705
CC1=C(C(=NN1C)C)C=C2C(=O)N3C4CC(N=C3S2)(OC5=CC=CC=C45)C
Cc1nn(c(c1C=c1sc2=NC3(CC(n2c1=O)c1ccccc1O3)C)C)C
InChI=1SC20H20N4O2Sc11114(12(2)23(4)2211)91718(25)24151020(32119(24)2717)2616865713(15)16h5915H10H214H3b179
MFCD20760080
ZINC000071785030
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