Vitas-M small molecule compound
(3aS,6R,7R,7aS)-2-[2-(1H-indol-3-yl)ethyl]-1-oxo-N-(propan-2-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL548087
SMILES CC(NC(=O)[C@H]1[C@@H]2C=C[C@@]3([C@H]1C(=O)N(C3)CCc1c[nH]c3c1cccc3)O2)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 C22H25N3O3 MW 379.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3/c1-13(2)24-20(26)18-17-7-9-22(28-17)12-25(21(27)19(18)22)10-8-14-11-23-16-6-4-3-5-15(14)16/h3-7,9,11,13,17-19,23H,8,10,12H2,1-2H3,(H,24,26)/t17-,18+,19-,22-/m1/s1InChIKey
ZVDDYQACVVPTAT-VQQMMKBISA-NSynonyms
(1~(S)5~(S)6~(R)7~(R))3(2(1~(H)indol3yl)ethyl)4oxo~(N)propan2yl10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R7R7aS)2(2(1Hindol3yl)ethyl)1oxoN(propan2yl)123677ahexahydro3a6epoxyisoindole7carboxamide
(3aS6R7R7aS)2(2(1Hindol3yl)ethyl)Nisopropyl1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
92504230
CC(NC(=O)(C@@H)1(C@@H)2C=C(C@)3((C@@H)1C(=O)N(C3)CCc1c(nH)c3c1cccc3)O2)C
InChI=1SC22H25N3O3c113(2)2420(26)18177922(2817)1225(21(27)19(18)22)10814112316643515(14)16h3791113171923H81012H212H3(H2426)t1718+1922m1s1
ZINC000015894315
ZINC15894315
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