Vitas-M small molecule compound
N'-{(E)-[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methylidene}-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
Catalog ID
STL374334
SMILES COc1cc(C)c(cc1C(C)C)/C=N/NC(=O)Cc1ccc(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 C21H22F3N3O4 MW 437.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3N3O4/c1-12(2)17-8-15(13(3)7-19(17)31-4)11-25-26-20(28)9-14-5-6-16(21(22,23)24)10-18(14)27(29)30/h5-8,10-12H,9H2,1-4H3,(H,26,28)/b25-11+InChIKey
WLBCEUILRJRLSP-OPEKNORGSA-NSynonyms
CC1=CC(=C(C=C1C=NNC(=O)CC2=C(C=C(C=C2)C(F)(F)F)(N+)(=O)(O))C(C)C)OC
COc1cc(C)c(cc1C(C)C)C=NNC(=O)Cc1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC21H22F3N3O4c112(2)17815(13(3)719(17)314)11252620(28)9145616(21(2223)24)1018(14)27(29)30h581012H9H214H3(H2628)b2511+
MFCD02047042
N((1E)2(4METHOXY2METHYL5(METHYLETHYL)PHENYL)1AZAVINYL)2(2NITRO4(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
N((E)(4methoxy2methyl5(propan2yl)phenyl)methylidene)2(2nitro4(trifluoromethyl)phenyl)acetohydrazide
N((E)(4methoxy2methyl5propan2ylphenyl)methylideneamino)2(2nitro4(trifluoromethyl)phenyl)acetamide
ZINC000009056963
ZINC33928044
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