Vitas-M small molecule compound
(3aR,6S,7aS)-2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL536966
SMILES COc1cc(ccc1OC)NC(=O)C1[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/c1-29-15-5-3-13(9-18(15)30-2)25-22(27)20-17-7-8-24(33-17)11-26(23(28)21(20)24)14-4-6-16-19(10-14)32-12-31-16/h3-10,17,20-21H,11-12H2,1-2H3,(H,25,27)/t17-,20?,21+,24-/m0/s1InChIKey
PAAFOUOBLJGIRE-CJWFJHMDSA-NSynonyms
(1~(R)5~(S)7~(S))3(13benzodioxol5yl)~(N)(34dimethoxyphenyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aR6S7aS)2(13benzodioxol5yl)N(34dimethoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(6S)2(benzo(d)(13)dioxol5yl)N(34dimethoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
56951762
COc1cc(ccc1OC)NC(=O)(C@@H)1(C@H)2C=C(C@)3((C@@H)1C(=O)N(C3)c1ccc3c(c1)OCO3)O2
InChI=1SC24H22N2O7c129155313(918(15)302)2522(27)20177824(3317)1126(23(28)21(20)24)14461619(1014)32123116h310172021H1112H212H3(H2527)t1720?21+24m0s1
ZINC000015894219
ZINC000015894220
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