Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-[3-(pentyloxy)phenyl]pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK564122
SMILES CCCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C
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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 C30H38N2O5 MW 506.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O5/c1-5-6-7-16-36-24-11-8-10-21(19-24)27-26(29(34)30(35)32(27)15-9-14-31(3)4)28(33)22-12-13-25-23(18-22)17-20(2)37-25/h8,10-13,18-20,27,33H,5-7,9,14-17H2,1-4H3/b28-26+InChIKey
WNZYLEOHGMPFEH-BYCLXTJYSA-NSynonyms
578002-01-4(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3PENTOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)45dioxo2(3(pentyloxy)phenyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(3PENTOXYPHENYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
578002014
CCCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)(O))C(=O)C(=O)N2CCC(NH+)(C)C
CCCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC30H38N2O5c15671636241181021(1924)2726(29(34)30(35)32(27)1591431(3)4)28(33)2212132523(1822)1720(2)3725h8101318202733H5791417H214H3b2826+
MFCD18244467
ZINC000102525977
ZINC000102647818
Check stock
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Check stock on Vitas-MAvailable files
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