Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL149196
SMILES O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C(N1CCCn1c[nH+]cc1)c1cccnc1
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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 C24H22N4O5 MW 446.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O5/c29-22(16-4-5-18-19(13-16)33-12-11-32-18)20-21(17-3-1-6-25-14-17)28(24(31)23(20)30)9-2-8-27-10-7-26-15-27/h1,3-7,10,13-15,21,29H,2,8-9,11-12H2/b22-20+InChIKey
AFVIDHPFQWTGFK-LSDHQDQOSA-NSynonyms
618411-40-8(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5PYRIDIN3YLPYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(3(1Himidazol3ium1yl)propyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)methanolate
618411408
C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CN=CC=C5)O
InChI=1SC24H22N4O5c2922(16451819(1316)3312113218)2021(17316251417)28(24(31)23(20)30)92827107261527h1371013152129H2891112H2b2220+
MFCD20755549
O=C1C(=O)C(=C(c2ccc3c(c2)OCCO3)(O))C(N1CCCn1c(nH+)cc1)c1cccnc1
ZINC000102928482
ZINC000102928484
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