Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL053459
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C1c1ccc(cc1)C(=O)OC)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 C27H30N2O7 MW 494.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O7/c1-4-28(5-2)12-13-29-23(17-6-8-18(9-7-17)27(33)34-3)22(25(31)26(29)32)24(30)19-10-11-20-21(16-19)36-15-14-35-20/h6-11,16,23,30H,4-5,12-15H2,1-3H3/b24-22+InChIKey
JOCLVDHCWALXCQ-ZNTNEXAZSA-NSynonyms
(E)(1(2(diethylammonio)ethyl)2(4(methoxycarbonyl)phenyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(4METHOXYCARBONYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
CC(NH+)(CC)CCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)(O))C(=O)C1=O)C4=CC=C(C=C4)C(=O)OC
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)(O))C1c1ccc(cc1)C(=O)OC)CC
InChI=1SC27H30N2O7c1428(52)12132923(176818(9717)27(33)343)22(25(31)26(29)32)24(30)1910112021(1619)3615143520h611162330H451215H213H3b2422+
METHYL4((3E)1(2DIETHYLAMINOETHYL)3(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)45DIOXOPYRROLIDIN2YL)BENZOATE
MFCD18249539
ZINC000009360941
ZINC000009436966
Check stock
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Check stock on Vitas-MAvailable files
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