Vitas-M small molecule compound
(E)-{2-(3,4-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK561839
SMILES COc1cc(ccc1OC)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/[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 C28H29N3O6 MW 503.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O6/c1-17-13-20-14-19(6-7-21(20)37-17)26(32)24-25(18-5-8-22(35-2)23(15-18)36-3)31(28(34)27(24)33)11-4-10-30-12-9-29-16-30/h5-9,12,14-17,25,32H,4,10-11,13H2,1-3H3/b26-24+InChIKey
VGKXOPAUXWMWHN-SHHOIMCASA-NSynonyms
848766-93-8(4E)5(34DIMETHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(34dimethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
848766938
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC(=C(C=C5)OC)OC)O
COc1cc(ccc1OC)C1N(CCCn2c(nH+)cc2)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)(O)
InChI=1SC28H29N3O6c11713201419(6721(20)3717)26(32)2425(185822(352)23(1518)363)31(28(34)27(24)33)1141030129291630h591214172532H4101113H213H3b2624+
MFCD18243907
ZINC000102507460
ZINC000102645370
Check stock
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Check stock on Vitas-MAvailable files
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