Vitas-M small molecule compound
(3aS,6R,7aR)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL535098
SMILES COc1ccc(cc1)N1C[C@@]23[C@H](C1=O)C([C@@H](O3)C=C2)C(=O)NCc1ccco1
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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 C21H20N2O5 MW 380.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5/c1-26-14-6-4-13(5-7-14)23-12-21-9-8-16(28-21)17(18(21)20(23)25)19(24)22-11-15-3-2-10-27-15/h2-10,16-18H,11-12H2,1H3,(H,22,24)/t16-,17?,18+,21-/m1/s1InChIKey
ZJFXHINRGHZLSY-PJNGNRRGSA-NSynonyms
(1~(S)5~(R)7~(R))~(N)(furan2ylmethyl)3(4methoxyphenyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R)N(furan2ylmethyl)2(4methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(3aS6R7aR)N(furan2ylmethyl)2(4methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
135639441
COc1ccc(cc1)N1C(C@@)23(C@@H)(C1=O)(C@H)((C@H)(O3)C=C2)C(=O)NCc1ccco1
InChI=1SC21H20N2O5c126146413(5714)2312219816(2821)17(18(21)20(23)25)19(24)22111532102715h2101618H1112H21H3(H2224)t1617?18+21m1s1
MFCD09791149
ZINC000008764618
ZINC000008764619
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