Vitas-M small molecule compound
5-[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}-4,5-dihydro-1,2-oxazole-3-carbohydrazide
Catalog ID
STK693113
SMILES COc1c(CC2ON=C(C2)C(=O)N/N=C/c2ccccc2C(F)(F)F)cc(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 C22H20F3N3O6 MW 479.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20F3N3O6/c1-30-17-8-13(18(31-2)20-19(17)32-11-33-20)7-14-9-16(28-34-14)21(29)27-26-10-12-5-3-4-6-15(12)22(23,24)25/h3-6,8,10,14H,7,9,11H2,1-2H3,(H,27,29)/b26-10+InChIKey
LUEJSNKYAKLESR-NSKAYECMSA-NSynonyms
5((47dimethoxy13benzodioxol5yl)methyl)N((E)(2(trifluoromethyl)phenyl)methylidene)45dihydro12oxazole3carbohydrazide
5((47dimethoxy13benzodioxol5yl)methyl)N((E)(2(trifluoromethyl)phenyl)methylideneamino)45dihydro12oxazole3carboxamide
COC1=C2C(=C(C(=C1)CC3CC(=NO3)C(=O)NN=CC4=CC=CC=C4C(F)(F)F)OC)OCO2
COc1c(CC2ON=C(C2)C(=O)NN=Cc2ccccc2C(F)(F)F)cc(c2c1OCO2)OC
InChI=1SC22H20F3N3O6c13017813(18(312)2019(17)32113320)714916(283414)21(29)27261012534615(12)22(2324)25h3681014H7911H212H3(H2729)b2610+
MFCD10039193
ZINC000015085911
ZINC000015085913
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