Vitas-M small molecule compound
6-(2-amino-2-oxoethyl)-5-[1-(diphenylmethyl)-1H-tetrazol-5-yl]-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552945
SMILES COc1c2OCOc2cc2c1C(c1nnnn1C(c1ccccc1)c1ccccc1)[N+](CC2)(C)CC(=O)N
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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 C28H29N6O4 MW 513.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N6O4/c1-34(16-22(29)35)14-13-20-15-21-26(38-17-37-21)27(36-2)23(20)25(34)28-30-31-32-33(28)24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15,24-25H,13-14,16-17H2,1-2H3,(H-,29,35)/p+1InChIKey
BQRIAQVUYDYWNH-UHFFFAOYSA-OSynonyms
2(5(1benzhydryltetrazol5yl)4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium6yl)acetamide
2(5(1BENZHYDRYLTETRAZOL5YL)4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM6YL)ACETAMIDE
3756487
6(2amino2oxoethyl)5(1(diphenylmethyl)1Htetrazol5yl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
6(2amino2oxoethyl)5(1benzhydryl1Htetrazol5yl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1c2OCOc2cc2c1C(c1nnnn1C(c1ccccc1)c1ccccc1)(N+)(CC2)(C)CC(=O)N(I)
InChI=1SC28H28N6O4c134(1622(29)35)141320152126(38173721)27(362)23(20)25(34)2830313233(28)24(1895361018)19117481219h312152425H13141617H212H3(H2935)p+1
ZINC000252441029
ZINC000252441032
Check stock
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