Vitas-M small molecule compound
(3aR,6S,7aS)-2-[2-(1H-indol-3-yl)ethyl]-1-oxo-N-phenyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL538153
SMILES O=C(C1[C@H]2C=C[C@]3([C@H]1C(=O)N(C3)CCc1c[nH]c3c1cccc3)O2)Nc1ccccc1
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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 C25H23N3O3 MW 413.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3/c29-23(27-17-6-2-1-3-7-17)21-20-10-12-25(31-20)15-28(24(30)22(21)25)13-11-16-14-26-19-9-5-4-8-18(16)19/h1-10,12,14,20-22,26H,11,13,15H2,(H,27,29)/t20-,21?,22+,25-/m0/s1InChIKey
YEVPHJIBDVTKJC-XTMJHDMTSA-NSynonyms
(1~(R)5~(S)7~(S))3(2(1~(H)indol3yl)ethyl)4oxo~(N)phenyl10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aR6S)2(2(1Hindol3yl)ethyl)1oxoNphenyl123677ahexahydro3a6epoxyisoindole7carboxamide
(3aR6S7aS)2(2(1Hindol3yl)ethyl)1oxoNphenyl123677ahexahydro3a6epoxyisoindole7carboxamide
56951764
InChI=1SC25H23N3O3c2923(27176213717)2120101225(3120)1528(24(30)22(21)25)131116142619954818(16)19h1101214202226H111315H2(H2729)t2021?22+25m0s1
O=C((C@@H)1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)CCc1c(nH)c3c1cccc3)O2)Nc1ccccc1
ZINC000015894262
ZINC000015894263
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