Vitas-M small molecule compound
N'-[(E)-(6-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-1,3-benzodioxol-5-yl)methylidene]benzohydrazide
Catalog ID
STK692982
SMILES COc1c(CC2ON=C(C2)c2ccc(cc2)F)c(/C=N/NC(=O)c2ccccc2)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 C27H24FN3O6 MW 505.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24FN3O6/c1-33-23-20(12-19-13-22(31-37-19)16-8-10-18(28)11-9-16)21(24(34-2)26-25(23)35-15-36-26)14-29-30-27(32)17-6-4-3-5-7-17/h3-11,14,19H,12-13,15H2,1-2H3,(H,30,32)/b29-14+InChIKey
JMYFJVRBAWYQIZ-IPPBACCNSA-NSynonyms
COC1=C2C(=C(C(=C1CC3CC(=NO3)C4=CC=C(C=C4)F)C=NNC(=O)C5=CC=CC=C5)OC)OCO2
COc1c(CC2ON=C(C2)c2ccc(cc2)F)c(C=NNC(=O)c2ccccc2)c(c2c1OCO2)OC
InChI=1SC27H24FN3O6c1332320(12191322(313719)1681018(28)11916)21(24(342)2625(23)35153626)14293027(32)176435717h3111419H121315H212H3(H3032)b2914+
MFCD10039016
N((E)(6((3(4fluorophenyl)45dihydro12oxazol5yl)methyl)47dimethoxy13benzodioxol5yl)methylidene)benzohydrazide
N((E)(6((3(4fluorophenyl)45dihydro12oxazol5yl)methyl)47dimethoxy13benzodioxol5yl)methylideneamino)benzamide
ZINC000015085426
ZINC000015085428
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