Vitas-M small molecule compound
3,4,5-tris[(2-fluorobenzyl)oxy]-N'-[(E)-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene]benzohydrazide
Catalog ID
STL173145
SMILES COc1cc(/C=N/NC(=O)c2cc(OCc3ccccc3F)c(c(c2)OCc2ccccc2F)OCc2ccccc2F)ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F
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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 C43H31F6N3O8 MW 831.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H31F6N3O8/c1-56-38-18-26(14-16-37(38)60-36-17-15-31(43(47,48)49)21-35(36)52(54)55)22-50-51-42(53)30-19-39(57-23-27-8-2-5-11-32(27)44)41(59-25-29-10-4-7-13-34(29)46)40(20-30)58-24-28-9-3-6-12-33(28)45/h2-22H,23-25H2,1H3,(H,51,53)/b50-22+InChIKey
DEVLAXVGHZNSPP-CUYGMMBRSA-NSynonyms
345tris((2fluorobenzyl)oxy)N((E)(3methoxy4(2nitro4(trifluoromethyl)phenoxy)phenyl)methylidene)benzohydrazide
345tris((2fluorophenyl)methoxy)N((E)(3methoxy4(2nitro4(trifluoromethyl)phenoxy)phenyl)methylideneamino)benzamide
COC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=C(C(=C2)OCC3=CC=CC=C3F)OCC4=CC=CC=C4F)OCC5=CC=CC=C5F)OC6=C(C=C(C=C6)C(F)(F)F)(N+)(=O)(O)
COc1cc(C=NNC(=O)c2cc(OCc3ccccc3F)c(c(c2)OCc2ccccc2F)OCc2ccccc2F)ccc1Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC43H31F6N3O8c156381826(141637(38)6036171531(43(4748)49)2135(36)52(54)55)22505142(53)301939(5723278251132(27)44)41(59252910471334(29)46)40(2030)5824289361233(28)45h222H2325H21H3(H5153)b5022+
MFCD02242941
ZINC000150392042
ZINC150476690
Check stock
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Check stock on Vitas-MAvailable files
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