Vitas-M small molecule compound
N'-[(E)-(4-chlorophenyl)methylidene]-4-[5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl]benzohydrazide
Catalog ID
STL526039
SMILES COc1c2c(CCN(C2c2nnnn2c2ccc(cc2)C(=O)N/N=C/c2ccc(cc2)Cl)C)cc2c1OCO2
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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 C27H24ClN7O4 MW 545.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClN7O4/c1-34-12-11-18-13-21-24(39-15-38-21)25(37-2)22(18)23(34)26-30-32-33-35(26)20-9-5-17(6-10-20)27(36)31-29-14-16-3-7-19(28)8-4-16/h3-10,13-14,23H,11-12,15H2,1-2H3,(H,31,36)/b29-14+InChIKey
QPCSDHHWGLFBHP-IPPBACCNSA-NSynonyms
374765-89-6(E)N(4chlorobenzylidene)4(5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)1Htetrazol1yl)benzohydrazide
~(N)((~(E))(4chlorophenyl)methylideneamino)4(5(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)tetrazol1yl)benzamide
374765896
9631990
COc1c2c(CCN(C2c2nnnn2c2ccc(cc2)C(=O)NN=Cc2ccc(cc2)Cl)C)cc2c1OCO2
InChI=1SC27H24ClN7O4c134121118132124(39153821)25(372)22(18)23(34)2630323335(26)209517(61020)27(36)312914163719(28)8416h310131423H111215H212H3(H3136)b2914+
MFCD01947303
N((E)(4chlorophenyl)methylidene)4(5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)1Htetrazol1yl)benzohydrazide
ZINC000070670138
ZINC000070670139
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