Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-[4-(pentyloxy)phenyl]pyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STK568247
SMILES CCCCCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[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 C31H40N2O6 MW 536.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O6/c1-4-7-8-18-37-24-13-10-22(11-14-24)28-27(29(34)23-12-15-25-26(21-23)39-20-19-38-25)30(35)31(36)33(28)17-9-16-32(5-2)6-3/h10-15,21,28,34H,4-9,16-20H2,1-3H3/b29-27+InChIKey
TZBFTJNGROORMA-ORIPQNMZSA-NSynonyms
618856-67-0(4E)1(3(DIETHYLAMINO)PROPYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(4PENTOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)45dioxo2(4(pentyloxy)phenyl)pyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2(4PENTOXYPHENYL)PYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
618856670
CCCCCOC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN(CC)CC
CCCCCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
InChI=1SC31H40N2O6c1478183724131022(111424)2827(29(34)2312152526(2123)3920193825)30(35)31(36)33(28)1791632(52)63h1015212834H491620H213H3b2927+
MFCD18245215
ZINC000102551331
ZINC000102551339
Check stock
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Check stock on Vitas-MAvailable files
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