Vitas-M small molecule compound

(2E)-4-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl][2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobut-2-enoic acid

Catalog ID
STK675229
SMILES COc1cc(CCN(C2CC(=O)N(C2=O)c2ccc(cc2)Br)C(=O)/C=C/C(=O)O)ccc1OC

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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 C24H23BrN2O7 MW 531.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23BrN2O7/c1-33-19-8-3-15(13-20(19)34-2)11-12-26(21(28)9-10-23(30)31)18-14-22(29)27(24(18)32)17-6-4-16(25)5-7-17/h3-10,13,18H,11-12,14H2,1-2H3,(H,30,31)/b10-9+
InChIKey
IJRYMBZKZRNAEN-MDZDMXLPSA-N
Synonyms

(2E)4((1(4bromophenyl)25dioxopyrrolidin3yl)(2(34dimethoxyphenyl)ethyl)amino)4oxobut2enoicacid
(E)4((1(4BROMOPHENYL)25DIOXOPYRROLIDIN3YL)(2(34DIMETHOXYPHENYL)ETHYL)AMINO)4OXOBUT2ENOICACID
COC1=C(C=C(C=C1)CCN(C2CC(=O)N(C2=O)C3=CC=C(C=C3)Br)C(=O)C=CC(=O)O)OC
COc1cc(CCN(C2CC(=O)N(C2=O)c2ccc(cc2)Br)C(=O)C=CC(=O)O)ccc1OC
InChI=1SC24H23BrN2O7c133198315(1320(19)342)111226(21(28)91023(30)31)181422(29)27(24(18)32)176416(25)5717h3101318H111214H212H3(H3031)b109+
MFCD01571670
ZINC000008407802
ZINC000100076459

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Available files

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