Vitas-M small molecule compound
(3aS,6R)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL534067
SMILES COc1ccccc1N1C[C@@]23C(C1=O)C([C@@H](O3)C=C2)C(=O)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 C26H25N3O4 MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4/c1-32-20-9-5-4-8-19(20)29-15-26-12-10-21(33-26)22(23(26)25(29)31)24(30)27-13-11-16-14-28-18-7-3-2-6-17(16)18/h2-10,12,14,21-23,28H,11,13,15H2,1H3,(H,27,30)/t21-,22?,23?,26-/m1/s1InChIKey
IKGLSQKPYQOTPN-SFKRIFCUSA-NSynonyms
(1~(S)7~(R))~(N)(2(1~(H)indol3yl)ethyl)3(2methoxyphenyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R)N(2(1Hindol3yl)ethyl)2(2methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
53299236
COc1ccccc1N1C(C@)23(C@H)(C1=O)(C@H)((C@@H)(O3)C=C2)C(=O)NCCc1c(nH)c2c1cccc2
InChI=1SC26H25N3O4c13220954819(20)291526121021(3326)22(23(26)25(29)31)24(30)27131116142818732617(16)18h2101214212328H111315H21H3(H2730)t2122?23?26m1s1
MFCD09798193
ZINC000015894284
ZINC000015894287
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