Vitas-M small molecule compound
(3aS,6R,7R,7aS)-2-(1,3-benzodioxol-5-yl)-N-(3,5-dimethoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL537585
SMILES COc1cc(cc(c1)OC)NC(=O)[C@H]1[C@@H]2C=C[C@@]3([C@H]1C(=O)N(C3)c1ccc3c(c1)OCO3)O2
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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 C24H22N2O7 MW 450.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O7/c1-29-15-7-13(8-16(10-15)30-2)25-22(27)20-18-5-6-24(33-18)11-26(23(28)21(20)24)14-3-4-17-19(9-14)32-12-31-17/h3-10,18,20-21H,11-12H2,1-2H3,(H,25,27)/t18-,20+,21-,24-/m1/s1InChIKey
GLGDSYXVVNBOGI-LOCCHRAXSA-NSynonyms
(1~(S)5~(S)6~(R)7~(R))3(13benzodioxol5yl)~(N)(35dimethoxyphenyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R7R7aS)2(13benzodioxol5yl)N(35dimethoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(3aS6R7R7aS)2(benzo(d)(13)dioxol5yl)N(35dimethoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
40816311
COc1cc(cc(c1)OC)NC(=O)(C@@H)1(C@H)2C=C(C@@)3((C@H)1C(=O)N(C3)c1ccc3c(c1)OCO3)O2
InChI=1SC24H22N2O7c12915713(816(1015)302)2522(27)20185624(3318)1126(23(28)21(20)24)14341719(914)32123117h310182021H1112H212H3(H2527)t1820+2124m1s1
ZINC000008764761
ZINC8764761
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