Vitas-M small molecule compound
methyl (2Z)-5-methyl-1-oxo-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
Catalog ID
STL400065
SMILES COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C/c2c(C)nn(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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-11-14(12(2)25(4)24-11)10-16-19(27)26-18-13-8-6-7-9-15(13)30-22(3,23-21(26)31-16)17(18)20(28)29-5/h6-10,17-18H,1-5H3/b16-10-InChIKey
QWJJUGWLQHRWNT-YBEGLDIGSA-NSynonyms
1217885-41-01217885410
CC1=C(C(=NN1C)C)C=C2C(=O)N3C4C(C(N=C3S2)(OC5=CC=CC=C45)C)C(=O)OC
COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2c(C)nn(c2C)C)s1
InChI=1SC22H22N4O4Sc11114(12(2)25(4)2411)101619(27)261813867915(13)3022(32321(26)3116)17(18)20(28)295h6101718H15H3b1610
methyl(2Z)5methyl1oxo2((135trimethyl1Hpyrazol4yl)methylidene)12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxylate
MFCD04136344
ZINC000105544028
ZINC000105544029
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