Vitas-M small molecule compound
2-(5-acetyl-2-ethoxyphenyl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
Catalog ID
STL387321
SMILES CCOc1ccc(cc1N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)C(=O)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 C21H21NO4 MW 351.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO4/c1-3-26-17-7-4-11(10(2)23)8-16(17)22-20(24)18-12-5-6-13(15-9-14(12)15)19(18)21(22)25/h4-8,12-15,18-19H,3,9H2,1-2H3InChIKey
NQQTUEFYXYDZMJ-UHFFFAOYSA-NSynonyms
2(5acetyl2ethoxyphenyl)hexahydro46ethenocyclopropa(f)isoindole13(2H3aH)dione
CCOC1=C(C=C(C=C1)C(=O)C)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI=1SC21H21NO4c1326177411(10(2)23)816(17)2220(24)18125613(15914(12)15)19(18)21(22)25h4812151819H39H212H3
MFCD02306706
ZINC000245226830
ZINC000245226833
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