Vitas-M small molecule compound
(3aS,6R)-N-[2-(1H-indol-3-yl)ethyl]-2-[1-(4-methoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL533932
SMILES COc1ccc(cc1)C(N1C[C@@]23C(C1=O)C([C@@H](O3)C=C2)C(=O)NCCc1c[nH]c2c1cccc2)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 C28H29N3O4 MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O4/c1-17(18-7-9-20(34-2)10-8-18)31-16-28-13-11-23(35-28)24(25(28)27(31)33)26(32)29-14-12-19-15-30-22-6-4-3-5-21(19)22/h3-11,13,15,17,23-25,30H,12,14,16H2,1-2H3,(H,29,32)/t17?,23-,24?,25?,28-/m1/s1InChIKey
OGQCTAMMMCLXTA-OCNHWKODSA-NSynonyms
(1~(S)7~(R))~(N)(2(1~(H)indol3yl)ethyl)3(1(4methoxyphenyl)ethyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R)N(2(1Hindol3yl)ethyl)2(1(4methoxyphenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(6R)N(2(1Hindol3yl)ethyl)2(1(4methoxyphenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
135639422
COc1ccc(cc1)(C@H)(N1C(C@)23(C@H)(C1=O)(C@H)((C@@H)(O3)C=C2)C(=O)NCCc1c(nH)c2c1cccc2)C
InChI=1SC28H29N3O4c117(187920(342)10818)311628131123(3528)24(25(28)27(31)33)26(32)29141219153022643521(19)22h311131517232530H121416H212H3(H2932)t17?2324?25?28m1s1
ZINC000015894208
ZINC000257198994
Check stock
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