Vitas-M small molecule compound
2-[4-(acetylamino)phenyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STK785743
SMILES CC(=O)Nc1ccc(cc1)N1CC23C(C1=O)C(C(O3)C=C2)C(=O)O
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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 C17H16N2O5 MW 328.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O5/c1-9(20)18-10-2-4-11(5-3-10)19-8-17-7-6-12(24-17)13(16(22)23)14(17)15(19)21/h2-7,12-14H,8H2,1H3,(H,18,20)(H,22,23)InChIKey
VWVXWMBAXJBMSV-UHFFFAOYSA-NSynonyms
1005150-95-7(6R7S7aR)2(4acetamidophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
1005150957
2(4(acetylamino)phenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
CC(=O)NC1=CC=C(C=C1)N2CC34C=CC(O3)C(C4C2=O)C(=O)O
InChI=1SC17H16N2O5c19(20)18102411(5310)198177612(2417)13(16(22)23)14(17)15(19)21h271214H8H21H3(H1820)(H2223)
MFCD05671020
ZINC000003882484
ZINC000245226412
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