Vitas-M small molecule compound

4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoate

Catalog ID
STK599407
SMILES N#C/C(=C\c1ccc(c(c1)OC)OC(=O)C(N1C(=O)c2c(C1=O)cccc2)C(C)C)/C(=O)OC

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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 C25H22N2O7 MW 462.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O7/c1-14(2)21(27-22(28)17-7-5-6-8-18(17)23(27)29)25(31)34-19-10-9-15(12-20(19)32-3)11-16(13-26)24(30)33-4/h5-12,14,21H,1-4H3/b16-11+
InChIKey
QTHOYIWXUQPIHI-LFIBNONCSA-N
Synonyms

(4((E)2CYANO3METHOXY3OXOPROP1ENYL)2METHOXYPHENYL)2(13DIOXOISOINDOL2YL)3METHYLBUTANOATE
(E)4(2CYANO3METHOXY3OXOPROP1EN1YL)2METHOXYPHENYL2(13DIOXOISOINDOLIN2YL)3METHYLBUTANOATE
4((1E)2cyano3methoxy3oxoprop1en1yl)2methoxyphenyl2(13dioxo13dihydro2Hisoindol2yl)3methylbutanoate
CC(C)C(C(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)OC)OC)N2C(=O)C3=CC=CC=C3C2=O
InChI=1SC25H22N2O7c114(2)21(2722(28)17756818(17)23(27)29)25(31)341910915(1220(19)323)1116(1326)24(30)334h5121421H14H3b1611+
METHYL(2E)3(4(2(13DIOXOBENZO(C)AZOLIN2YL)3METHYLBUTANOYLOXY)3METHOXYPHENYL)2CYANOPROP2ENOATE
MFCD02959819
N#CC(=Cc1ccc(c(c1)OC)OC(=O)C(N1C(=O)c2c(C1=O)cccc2)C(C)C)C(=O)OC
ZINC000000951120
ZINC000000951122

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Available files

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