Vitas-M small molecule compound
(3aS,6R,7aR)-N-(3,5-dimethoxyphenyl)-1-oxo-2-(pyridin-4-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL542617
SMILES COc1cc(NC(=O)C2[C@@H]3C=C[C@@]4([C@@H]2C(=O)N(C4)Cc2ccncc2)O3)cc(c1)OC
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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 C23H23N3O5 MW 421.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O5/c1-29-16-9-15(10-17(11-16)30-2)25-21(27)19-18-3-6-23(31-18)13-26(22(28)20(19)23)12-14-4-7-24-8-5-14/h3-11,18-20H,12-13H2,1-2H3,(H,25,27)/t18-,19?,20+,23-/m1/s1InChIKey
IUMOYQIAQYDHSP-KOLTXKIZSA-NSynonyms
(1~(S)5~(R)7~(R))~(N)(35dimethoxyphenyl)4oxo3(pyridin4ylmethyl)10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R)N(35dimethoxyphenyl)1oxo2(pyridin4ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxamide
(3aS6R7aR)N(35dimethoxyphenyl)1oxo2(pyridin4ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxamide
135639645
COc1cc(NC(=O)(C@@H)2(C@H)3C=C(C@@)4((C@H)2C(=O)N(C4)Cc2ccncc2)O3)cc(c1)OC
InChI=1SC23H23N3O5c12916915(1017(1116)302)2521(27)19183623(3118)1326(22(28)20(19)23)121447248514h3111820H1213H212H3(H2527)t1819?20+23m1s1
ZINC000008792545
ZINC000008792546
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