Vitas-M small molecule compound
2-amino-5-(1,3-benzodioxol-5-yl)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium
Catalog ID
STK120740
SMILES Cn1c(N)[n+](cc1c1ccc2c(c1)OCO2)CC(=O)c1ccc2c(c1)OCO2
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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 C20H18N3O5 MW 380.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O5/c1-22-14(12-2-4-16-18(6-12)27-10-25-16)8-23(20(22)21)9-15(24)13-3-5-17-19(7-13)28-11-26-17/h2-8,21H,9-11H2,1H3/p+1InChIKey
OHBPFPKQCNEWAB-UHFFFAOYSA-OSynonyms
2(2AMINO4(13BENZODIOXOL5YL)3METHYLIMIDAZOL1IUM1YL)1(13BENZODIOXOL5YL)ETHANONE
2AMINO5(13BENZODIOXOL5YL)3(2(13BENZODIOXOL5YL)2OXOETHYL)1METHYL1HIMIDAZOL3IUM
CN1C(=C(N+)(=C1N)CC(=O)C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5
Cn1c(N)(n+)(cc1c1ccc2c(c1)OCO2)CC(=O)c1ccc2c(c1)OCO2
InChI=1SC20H17N3O5c12214(12241618(612)27102516)823(20(22)21)915(24)13351719(713)28112617h2821H911H21H3p+1
MFCD04376350
ZINC000334157580
ZINC04698595
ZINC4698595
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