Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL148765
SMILES COc1cc(cc(c1OC)OC)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 C29H31N3O7 MW 533.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O7/c1-17-12-19-13-18(6-7-21(19)39-17)26(33)24-25(20-14-22(36-2)28(38-4)23(15-20)37-3)32(29(35)27(24)34)10-5-9-31-11-8-30-16-31/h6-8,11,13-17,25,33H,5,9-10,12H2,1-4H3/b26-24+InChIKey
MAWXKGIGVNFYGJ-SHHOIMCASA-NSynonyms
846062-07-5(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
846062075
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC(=C(C(=C5)OC)OC)OC)O
COc1cc(cc(c1OC)OC)C1N(CCCn2c(nH+)cc2)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)(O)
InChI=1SC29H31N3O7c11712191318(6721(19)3917)26(33)2425(201422(362)28(384)23(1520)373)32(29(35)27(24)34)105931118301631h681113172533H591012H214H3b2624+
MFCD20755470
ZINC000102927657
ZINC000102927664
Check stock
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