Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL043714
SMILES C=CCOc1ccc(cc1OCC)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 C30H36N2O6 MW 520.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O6/c1-6-15-37-24-12-9-20(18-25(24)36-7-2)27-26(29(34)30(35)32(27)14-8-13-31(4)5)28(33)21-10-11-23-22(17-21)16-19(3)38-23/h6,9-12,17-19,27,33H,1,7-8,13-16H2,2-5H3/b28-26+InChIKey
LDDCNNUXLJASBF-BYCLXTJYSA-NSynonyms
847380-41-0(4E)1(3(DIMETHYLAMINO)PROPYL)5(3ETHOXY4PROP2ENOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(3ethoxy4(prop2en1yloxy)phenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(3ETHOXY4PROP2ENOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
847380410
C=CCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)(C)C
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)(O))C(=O)C(=O)N2CCC(NH+)(C)C)OCC=C
InChI=1SC30H36N2O6c1615372412920(1825(24)3672)2726(29(34)30(35)32(27)1481331(4)5)28(33)2110112322(1721)1619(3)3823h691217192733H1781316H225H3b2826+
MFCD18248271
ZINC000009311863
ZINC000009311866
Check stock
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Check stock on Vitas-MAvailable files
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