Vitas-M small molecule compound

(E)-{1-[2-(diethylammonio)ethyl]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate

Catalog ID
STK559676
SMILES COc1cccc(c1)C1N(CC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1cc2c(o1)c(OC)ccc2)/[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 C27H30N2O6 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O6/c1-5-28(6-2)13-14-29-23(17-9-7-11-19(15-17)33-3)22(25(31)27(29)32)24(30)21-16-18-10-8-12-20(34-4)26(18)35-21/h7-12,15-16,23,30H,5-6,13-14H2,1-4H3/b24-22+
InChIKey
ZHODFYPDOVCROE-ZNTNEXAZSA-N
Synonyms

(E)(1(2(diethylammonio)ethyl)2(3methoxyphenyl)45dioxopyrrolidin3ylidene)(7methoxy1benzofuran2yl)methanolate
COc1cccc(c1)C1N(CC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1cc2c(o1)c(OC)ccc2)(O)
MFCD18243334
ZINC000009334402
ZINC000009353595

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Available files

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