Vitas-M small molecule compound
3-{[(5s,7s)-6-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one
Catalog ID
STL535726
SMILES COc1c(OC)ccc2c1C(=O)OC2NC1N2C[C@]3(CN1C[C@@](C2)(C3c1ccc2c(c1)OCO2)C)C
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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 C27H31N3O6 MW 493.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O6/c1-26-10-29-12-27(2,22(26)15-5-7-17-19(9-15)35-14-34-17)13-30(11-26)25(29)28-23-16-6-8-18(32-3)21(33-4)20(16)24(31)36-23/h5-9,22-23,25,28H,10-14H2,1-4H3/t22?,23?,25?,26-,27+InChIKey
RAJSWMOGCZCSQW-SORNCHDISA-NSynonyms
3(((1r5R7S)6(benzo(d)(13)dioxol5yl)57dimethyl13diazaadamantan2yl)amino)67dimethoxyisobenzofuran1(3H)one
3(((5s7s)6(13benzodioxol5yl)57dimethyl13diazatricyclo(3311~37~)dec2yl)amino)67dimethoxy2benzofuran1(3H)one
COc1c(OC)ccc2c1C(=O)OC2NC1N2C(C@@)3(CN1C(C@)(C2)(C3c1ccc2c(c1)OCO2)C)C
InChI=1SC27H31N3O6c12610291227(222(26)15571719(915)35143417)1330(1126)25(29)2823166818(323)21(334)20(16)24(31)3623h5922232528H1014H214H3t22?23?25?2627+
ZINC000032123980
ZINC000032123981
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