Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL054293
SMILES CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCC[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 C34H46N2O6 MW 578.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H46N2O6/c1-7-35(8-2)16-10-17-36-31(24-11-14-28(29(21-24)40-9-3)41-18-15-22(4)5)30(33(38)34(36)39)32(37)25-12-13-27-26(20-25)19-23(6)42-27/h11-14,20-23,31,37H,7-10,15-19H2,1-6H3/b32-30+InChIKey
VQIZUEVWBAPZDP-NHQGMKOOSA-NSynonyms
893696-94-1(4E)1(3(DIETHYLAMINO)PROPYL)5(3ETHOXY4(3METHYLBUTOXY)PHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)2(3ethoxy4(3methylbutoxy)phenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(3ETHOXY4(3METHYLBUTOXY)PHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
893696941
CC(NH+)(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)(O))C(=O)C1=O)C4=CC(=C(C=C4)OCCC(C)C)OCC
CCOc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
InChI=1SC34H46N2O6c1735(82)1610173631(24111428(29(2124)4093)41181522(4)5)30(33(38)34(36)39)32(37)2512132726(2025)1923(6)4227h111420233137H7101519H216H3b3230+
MFCD18249597
ZINC000102893701
ZINC000102893708
Check stock
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