Vitas-M small molecule compound
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-(1H-imidazol-3-ium-4-yl)propanoate
Catalog ID
STL055571
SMILES [O-]C(=O)C(N1C(=O)C2C(C1=O)C1CC2C=C1)Cc1c[nH]c[nH+]1
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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 C15H15N3O4 MW 301.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N3O4/c19-13-11-7-1-2-8(3-7)12(11)14(20)18(13)10(15(21)22)4-9-5-16-6-17-9/h1-2,5-8,10-12H,3-4H2,(H,16,17)(H,21,22)InChIKey
MMZUYMRACDCOMP-UHFFFAOYSA-NSynonyms
474648-20-9(O)C(=O)C(N1C(=O)C2C(C1=O)C1CC2C=C1)Cc1c(nH)c(nH+)1
2(13dioxo133a477ahexahydro2H47methanoisoindol2yl)3(1Himidazol3ium4yl)propanoate
2(13DIOXO133A477AHEXAHYDRO2H47METHANOISOINDOL2YL)3(1HIMIDAZOL5YL)PROPANOICACID
474648209
C1C2C=CC1C3C2C(=O)N(C3=O)C(CC4=C(NH+)=CN4)C(=O)(O)
InChI=1SC15H15N3O4c1913117128(37)12(11)14(20)18(13)10(15(21)22)495166179h12581012H34H2(H1617)(H2122)
MFCD01954792
ZINC000100320609
ZINC000206871981
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