Vitas-M small molecule compound
5-(6-bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl)-4-methyl-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}-4,5-dihydro-1,2-oxazole-3-carbohydrazide
Catalog ID
STK692551
SMILES COc1c(C2ON=C(C2C)C(=O)N/N=C/c2ccccc2C(F)(F)F)c(Br)c(c2c1OCO2)OC
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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 C22H19BrF3N3O6 MW 558.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrF3N3O6/c1-10-15(21(30)28-27-8-11-6-4-5-7-12(11)22(24,25)26)29-35-16(10)13-14(23)18(32-3)20-19(17(13)31-2)33-9-34-20/h4-8,10,16H,9H2,1-3H3,(H,28,30)/b27-8+InChIKey
GALYMCJUDGCQTJ-FLUNURKVSA-NSynonyms
5(6bromo47dimethoxy13benzodioxol5yl)4methylN((E)(2(trifluoromethyl)phenyl)methylidene)45dihydro12oxazole3carbohydrazide
5(6bromo47dimethoxy13benzodioxol5yl)4methylN((E)(2(trifluoromethyl)phenyl)methylideneamino)45dihydro12oxazole3carboxamide
CC1C(ON=C1C(=O)NN=CC2=CC=CC=C2C(F)(F)F)C3=C(C4=C(C(=C3Br)OC)OCO4)OC
COc1c(C2ON=C(C2C)C(=O)NN=Cc2ccccc2C(F)(F)F)c(Br)c(c2c1OCO2)OC
InChI=1SC22H19BrF3N3O6c11015(21(30)2827811645712(11)22(2425)26)293516(10)1314(23)18(323)2019(17(13)312)3393420h481016H9H213H3(H2830)b278+
MFCD10038564
ZINC000100237738
ZINC000100237750
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