Vitas-M small molecule compound
N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-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
STL524785
SMILES COc1c2c(CCN(C2c2nnnn2c2ccc(cc2)C(=O)N/N=C/c2ccc3c(c2)OCO3)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 C28H25N7O6 MW 555.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N7O6/c1-34-10-9-18-12-22-25(41-15-40-22)26(37-2)23(18)24(34)27-30-32-33-35(27)19-6-4-17(5-7-19)28(36)31-29-13-16-3-8-20-21(11-16)39-14-38-20/h3-8,11-13,24H,9-10,14-15H2,1-2H3,(H,31,36)/b29-13+InChIKey
DZXWBVARZFTLQL-VFLNYLIXSA-NSynonyms
374708-47-1(E)N(benzo(d)(13)dioxol5ylmethylene)4(5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)1Htetrazol1yl)benzohydrazide
~(N)((~(E))13benzodioxol5ylmethylideneamino)4(5(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)tetrazol1yl)benzamide
374708471
9638771
COc1c2c(CCN(C2c2nnnn2c2ccc(cc2)C(=O)NN=Cc2ccc3c(c2)OCO3)C)cc2c1OCO2
InChI=1SC28H25N7O6c13410918122225(41154022)26(372)23(18)24(34)2730323335(27)196417(5719)28(36)31291316382021(1116)39143820h38111324H9101415H212H3(H3136)b2913+
MFCD02056918
N((E)13benzodioxol5ylmethylidene)4(5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)1Htetrazol1yl)benzohydrazide
ZINC000070669963
ZINC000070669964
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