Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL036811
SMILES CCOc1ccc(cc1OC)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 C30H38N2O6 MW 522.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O6/c1-6-31(7-2)14-9-15-32-27(20-10-13-24(37-8-3)25(18-20)36-5)26(29(34)30(32)35)28(33)21-11-12-23-22(17-21)16-19(4)38-23/h10-13,17-19,27,33H,6-9,14-16H2,1-5H3/b28-26+InChIKey
TXAPBRSRXYSXGP-BYCLXTJYSA-NSynonyms
578701-92-5(4E)1(3(DIETHYLAMINO)PROPYL)5(4ETHOXY3METHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)2(4ethoxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(4ETHOXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
578701925
CCN(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)O)C(=O)C1=O)C4=CC(=C(C=C4)OCC)OC
CCOc1ccc(cc1OC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
InChI=1SC30H38N2O6c1631(72)149153227(20101324(3783)25(1820)365)26(29(34)30(32)35)28(33)2111122322(1721)1619(4)3823h101317192733H691416H215H3b2826+
MFCD18247305
ZINC000102856644
ZINC000102856652
Check stock
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