Vitas-M small molecule compound
(3aR,6S,7aS)-N-cyclopropyl-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL546378
SMILES O=C(C1[C@H]2C=C[C@]3([C@H]1C(=O)N(C3)CCc1ccccc1)O2)NC1CC1
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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 C20H22N2O3 MW 338.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O3/c23-18(21-14-6-7-14)16-15-8-10-20(25-15)12-22(19(24)17(16)20)11-9-13-4-2-1-3-5-13/h1-5,8,10,14-17H,6-7,9,11-12H2,(H,21,23)/t15-,16?,17+,20-/m0/s1InChIKey
FLCFGVFZLXTFLR-CJVFLTLBSA-NSynonyms
(1~(R)5~(S)7~(S))~(N)cyclopropyl4oxo3(2phenylethyl)10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aR6S7aS)Ncyclopropyl1oxo2(2phenylethyl)123677ahexahydro3a6epoxyisoindole7carboxamide
(6S7aS)Ncyclopropyl1oxo2phenethyl123677ahexahydro3a6epoxyisoindole7carboxamide
135639738
InChI=1SC20H22N2O3c2318(21146714)161581020(2515)1222(19(24)17(16)20)119134213513h158101417H6791112H2(H2123)t1516?17+20m0s1
O=C((C@@H)1(C@H)2C=C(C@@)3((C@H)1C(=O)N(C3)CCc1ccccc1)O2)NC1CC1
ZINC000015894236
ZINC000015894237
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