Vitas-M small molecule compound
5-{3-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]prop-1-yn-1-yl}-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Catalog ID
STL562430
SMILES COc1c2c(CCN(C2C#CCOc2ccc(cc2n2nc3c(n2)cccc3)C)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 C28H26N4O4 MW 482.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O4/c1-18-10-11-24(23(15-18)32-29-20-7-4-5-8-21(20)30-32)34-14-6-9-22-26-19(12-13-31(22)2)16-25-27(28(26)33-3)36-17-35-25/h4-5,7-8,10-11,15-16,22H,12-14,17H2,1-3H3InChIKey
NBOZUYWLMORVOX-UHFFFAOYSA-NSynonyms
400786-27-83803982
400786278
5(3(2(2Hbenzo(d)(123)triazol2yl)4methylphenoxy)prop1yn1yl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinoline
5(3(2(2Hbenzotriazol2yl)4methylphenoxy)prop1yn1yl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinoline
5(3(2(benzotriazol2yl)4methylphenoxy)prop1ynyl)4methoxy6methyl78dihydro5H(13)dioxolo(45g)isoquinoline
InChI=1SC28H26N4O4c118101124(23(1518)322920745821(20)3032)341469222619(121331(22)2)162527(28(26)333)36173525h45781011151622H121417H213H3
MFCD02925381
ZINC000020112269
ZINC000020112271
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