Vitas-M small molecule compound
(3aR,6S,7R)-N-[2-(1H-indol-3-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL535204
SMILES O=C([C@H]1[C@H]2C=C[C@]3(C1C(=O)N(C3)c1noc(c1)C)O2)NCCc1c[nH]c2c1cccc2
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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 C23H22N4O4 MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4/c1-13-10-18(26-31-13)27-12-23-8-6-17(30-23)19(20(23)22(27)29)21(28)24-9-7-14-11-25-16-5-3-2-4-15(14)16/h2-6,8,10-11,17,19-20,25H,7,9,12H2,1H3,(H,24,28)/t17-,19-,20?,23-/m0/s1InChIKey
RAPAGQRQJCEFGK-KMUHXYMVSA-NSynonyms
(1~(R)6~(R)7~(S))~(N)(2(1~(H)indol3yl)ethyl)3(5methyl12oxazol3yl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aR6S)N(2(1Hindol3yl)ethyl)2(5methylisoxazol3yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(3aR6S7R)N(2(1Hindol3yl)ethyl)2(5methyl12oxazol3yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
135639445
InChI=1SC23H22N4O4c1131018(263113)2712238617(3023)19(20(23)22(27)29)21(28)249714112516532415(14)16h268101117192025H7912H21H3(H2428)t171920?23m0s1
MFCD09793048
O=C((C@@H)1(C@H)2C=C(C@)3((C@H)1C(=O)N(C3)c1noc(c1)C)O2)NCCc1c(nH)c2c1cccc2
ZINC000015894318
ZINC000015894319
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