Vitas-M small molecule compound
(4-chlorophenyl)({[(E)-{4-methoxy-3-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]phenyl}methylidene]amino}oxy)methanone
Catalog ID
STK761079
SMILES COc1ccc(cc1Cn1cnc(n1)[N+](=O)[O-])/C=N/OC(=O)c1ccc(cc1)Cl
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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 C18H14ClN5O5 MW 415.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClN5O5/c1-28-16-7-2-12(8-14(16)10-23-11-20-18(22-23)24(26)27)9-21-29-17(25)13-3-5-15(19)6-4-13/h2-9,11H,10H2,1H3/b21-9+InChIKey
NJJFNXIXTARTBP-ZVBGSRNCSA-NSynonyms
((E)(4methoxy3((3nitro124triazol1yl)methyl)phenyl)methylideneamino)4chlorobenzoate
(4chlorophenyl)((((E)(4methoxy3((3nitro1H124triazol1yl)methyl)phenyl)methylidene)amino)oxy)methanone
COC1=C(C=C(C=C1)C=NOC(=O)C2=CC=C(C=C2)Cl)CN3C=NC(=N3)(N+)(=O)(O)
COc1ccc(cc1Cn1cnc(n1)(N+)(=O)(O))C=NOC(=O)c1ccc(cc1)Cl
InChI=1SC18H14ClN5O5c128167212(814(16)1023112018(2223)24(26)27)9212917(25)133515(19)6413h2911H10H21H3b219+
MFCD01820528
ZINC000001064856
ZINC33296738
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