Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-[3-(pentyloxy)phenyl]pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL151107
SMILES CCCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CC[NH+](CC)CC
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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 C31H40N2O5 MW 520.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O5/c1-5-8-9-17-37-25-12-10-11-22(20-25)28-27(30(35)31(36)33(28)16-15-32(6-2)7-3)29(34)23-13-14-26-24(19-23)18-21(4)38-26/h10-14,19-21,28,34H,5-9,15-18H2,1-4H3/b29-27+InChIKey
CGUSSGNRMNYUGO-ORIPQNMZSA-NSynonyms
578747-80-5(4E)1(2DIETHYLAMINOETHYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3PENTOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)45dioxo2(3(pentyloxy)phenyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2(3PENTOXYPHENYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
578747805
CCCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)(O))C(=O)C(=O)N2CC(NH+)(CC)CC
CCCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
InChI=1SC31H40N2O5c158917372512101122(2025)2827(30(35)31(36)33(28)161532(62)73)29(34)2313142624(1923)1821(4)3826h101419212834H591518H214H3b2927+
MFCD20755973
ZINC000102933318
ZINC000102933324
Check stock
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Check stock on Vitas-MAvailable files
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