Vitas-M small molecule compound
(2E)-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
STK309321
SMILES Cn1ncc(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 C19H18N4O2S MW 366.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O2S/c1-11-12(10-20-22(11)3)8-16-17(24)23-14-9-19(2,21-18(23)26-16)25-15-7-5-4-6-13(14)15/h4-8,10,14H,9H2,1-3H3/b16-8+InChIKey
QQZNDXLBEXIGRZ-LZYBPNLTSA-NSynonyms
1005611-79-9(2E)2((15dimethyl1Hpyrazol4yl)methylidene)5methyl5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocin1(2H)one
1005611799
CC1=C(C=NN1C)C=C2C(=O)N3C4CC(N=C3S2)(OC5=CC=CC=C45)C
Cn1ncc(c1C)C=c1sc2=NC3(CC(n2c1=O)c1ccccc1O3)C
InChI=1SC19H18N4O2Sc11112(102022(11)3)81617(24)2314919(22118(23)2616)2515754613(14)15h481014H9H213H3b168+
MFCD04052496
ZINC000006527519
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