Vitas-M small molecule compound
(E)-{2-[4-(dimethylammonio)phenyl]-4,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL039256
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[NH+](C)C)CCc1ccccc1)/[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 C30H30N2O4 MW 482.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O4/c1-19-17-23-18-22(11-14-25(23)36-19)28(33)26-27(21-9-12-24(13-10-21)31(2)3)32(30(35)29(26)34)16-15-20-7-5-4-6-8-20/h4-14,18-19,27,33H,15-17H2,1-3H3/b28-26+InChIKey
LQSYHLIDDKKMIS-BYCLXTJYSA-NSynonyms
841206-53-9(4E)5(4(dimethylamino)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(2phenylethyl)pyrrolidine23dione
(4E)5(4DIMETHYLAMINOPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1PHENETHYLPYRROLIDINE23DIONE
(E)(2(4(dimethylammonio)phenyl)45dioxo1(2phenylethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(4(DIMETHYLAZANIUMYL)PHENYL)45DIOXO1PHENETHYLPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
841206539
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCC4=CC=CC=C4)C5=CC=C(C=C5)N(C)C)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(NH+)(C)C)CCc1ccccc1)(O)
InChI=1SC30H30N2O4c11917231822(111425(23)3619)28(33)2627(2191224(131021)31(2)3)32(30(35)29(26)34)1615207546820h41418192733H1517H213H3b2826+
MFCD18247794
ZINC000102771190
ZINC000102771195
Check stock
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Check stock on Vitas-MAvailable files
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