Vitas-M small molecule compound

(E)-{1-[2-(diethylammonio)ethyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate

Catalog ID
STL150517
SMILES CCOc1ccc(cc1)C1N(CC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[O-]

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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 C27H35N3O6 MW 497.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N3O6/c1-7-29(8-2)14-15-30-23(18-10-12-19(13-11-18)36-9-3)21(25(32)26(30)33)24(31)20-16(4)22(27(34)35-6)28-17(20)5/h10-13,23,28,31H,7-9,14-15H2,1-6H3/b24-21+
InChIKey
AADXJUVTEQXXLD-DARPEHSRSA-N
Synonyms
587007-10-1
(E)(1(2(diethylammonio)ethyl)2(4ethoxyphenyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(4ETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
587007101
CC(NH+)(CC)CCN1C(C(=C(C2=C(NC(=C2C)C(=O)OC)C)(O))C(=O)C1=O)C3=CC=C(C=C3)OCC
CCOc1ccc(cc1)C1N(CC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O)
InChI=1SC27H35N3O6c1729(82)14153023(18101219(131118)3693)21(25(32)26(30)33)24(31)2016(4)22(27(34)356)2817(20)5h1013232831H791415H216H3b2421+
METHYL4((1(2(DIETHYLAMINO)ETHYL)2(4ETHOXYPHENYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(2DIETHYLAMINOETHYL)2(4ETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD20755847
ZINC000009071136
ZINC000009071150

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Available files

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