Vitas-M small molecule compound
(3aR,6S,7aS)-2-[4-(acetylamino)phenyl]-N-(3-methylbutyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL535194
SMILES CC(CCNC(=O)C1[C@H]2C=C[C@]3([C@H]1C(=O)N(C3)c1ccc(cc1)NC(=O)C)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 C22H27N3O4 MW 397.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O4/c1-13(2)9-11-23-20(27)18-17-8-10-22(29-17)12-25(21(28)19(18)22)16-6-4-15(5-7-16)24-14(3)26/h4-8,10,13,17-19H,9,11-12H2,1-3H3,(H,23,27)(H,24,26)/t17-,18?,19+,22-/m0/s1InChIKey
PCPSZNKSCXDFOD-AEZQTUKVSA-NSynonyms
(1~(R)5~(S)7~(S))3(4acetamidophenyl)~(N)(3methylbutyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aR6S7aS)2(4(acetylamino)phenyl)N(3methylbutyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(6S)2(4acetamidophenyl)Nisopentyl1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
56951766
CC(CCNC(=O)(C@@H)1(C@H)2C=C(C@)3((C@@H)1C(=O)N(C3)c1ccc(cc1)NC(=O)C)O2)C
InChI=1SC22H27N3O4c113(2)9112320(27)181781022(2917)1225(21(28)19(18)22)166415(5716)2414(3)26h4810131719H91112H213H3(H2327)(H2426)t1718?19+22m0s1
MFCD09790894
ZINC000015894272
ZINC000015894273
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