Vitas-M small molecule compound

5-[(6-bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-N'-{(Z)-[2-(trifluoromethyl)phenyl]methylidene}-4,5-dihydro-1,2-oxazole-3-carbohydrazide

Catalog ID
STK693147
SMILES COc1c(CC2ON=C(C2)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/c1-31-17-13(16(23)18(32-2)20-19(17)33-10-34-20)7-12-8-15(29-35-12)21(30)28-27-9-11-5-3-4-6-14(11)22(24,25)26/h3-6,9,12H,7-8,10H2,1-2H3,(H,28,30)/b27-9-
InChIKey
FHDBFHIPJWDGSK-WPDGFUPNSA-N
Synonyms

5((6bromo47dimethoxy13benzodioxol5yl)methyl)N((Z)(2(trifluoromethyl)phenyl)methylidene)45dihydro12oxazole3carbohydrazide
5((6bromo47dimethoxy13benzodioxol5yl)methyl)N((Z)(2(trifluoromethyl)phenyl)methylideneamino)45dihydro12oxazole3carboxamide
COC1=C(C(=C(C2=C1OCO2)OC)Br)CC3CC(=NO3)C(=O)NN=CC4=CC=CC=C4C(F)(F)F
COc1c(CC2ON=C(C2)C(=O)NN=Cc2ccccc2C(F)(F)F)c(Br)c(c2c1OCO2)OC
InChI=1SC22H19BrF3N3O6c1311713(16(23)18(322)2019(17)33103420)712815(293512)21(30)2827911534614(11)22(2425)26h36912H7810H212H3(H2830)b279
MFCD10039222
ZINC000100238964
ZINC000100238965

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Available files

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