Vitas-M small molecule compound
(3aS,6R)-2-[2-(1H-indol-3-yl)ethyl]-1-oxo-N-(4-phenylbutan-2-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL534546
SMILES CC(NC(=O)C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)CCc1c[nH]c3c1cccc3)O2)CCc1ccccc1
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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 C29H31N3O3 MW 469.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3/c1-19(11-12-20-7-3-2-4-8-20)31-27(33)25-24-13-15-29(35-24)18-32(28(34)26(25)29)16-14-21-17-30-23-10-6-5-9-22(21)23/h2-10,13,15,17,19,24-26,30H,11-12,14,16,18H2,1H3,(H,31,33)/t19?,24-,25?,26?,29-/m1/s1InChIKey
XDVDTNLLGKCZCX-JLNMZHEYSA-NSynonyms
(1~(S)7~(R))3(2(1~(H)indol3yl)ethyl)4oxo~(N)(4phenylbutan2yl)10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R)2(2(1Hindol3yl)ethyl)1oxoN(4phenylbutan2yl)123677ahexahydro3a6epoxyisoindole7carboxamide
132935183
C(C@@H)(NC(=O)(C@H)1(C@H)2C=C(C@)3((C@H)1C(=O)N(C3)CCc1c(nH)c3c1cccc3)O2)CCc1ccccc1
InChI=1SC29H31N3O3c119(1112207324820)3127(33)2524131529(3524)1832(28(34)26(25)29)1614211730231065922(21)23h21013151719242630H1112141618H21H3(H3133)t19?2425?26?29m1s1
ZINC000015894241
ZINC000035485253
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