Vitas-M small molecule compound

(2E)-4-{(1,3-benzodioxol-5-ylmethyl)[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino}-4-oxobut-2-enoic acid

Catalog ID
STK096193
SMILES CCOc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)/C=C/C(=O)O)Cc1ccc2c(c1)OCO2

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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 C24H22N2O8 MW 466.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O8/c1-2-32-17-6-4-16(5-7-17)26-22(28)12-18(24(26)31)25(21(27)9-10-23(29)30)13-15-3-8-19-20(11-15)34-14-33-19/h3-11,18H,2,12-14H2,1H3,(H,29,30)/b10-9+
InChIKey
RJCPMCLIIHOKKB-MDZDMXLPSA-N
Synonyms
470694-99-6
(2E)4((13BENZODIOXOL5YLMETHYL)(1(4ETHOXYPHENYL)25DIOXOPYRROLIDIN3YL)AMINO)4OXOBUT2ENOICACID
(E)4((benzo(d)(13)dioxol5ylmethyl)(1(4ethoxyphenyl)25dioxopyrrolidin3yl)amino)4oxobut2enoicacid
(E)4(13BENZODIOXOL5YLMETHYL(1(4ETHOXYPHENYL)25DIOXOPYRROLIDIN3YL)AMINO)4OXOBUT2ENOICACID
4((13BENZODIOXOL5YLMETHYL)(1(4ETHOXYPHENYL)25DIOXO3PYRROLIDINYL)AMINO)4OXO2BUTENOICACID
470694996
CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC3=CC4=C(C=C3)OCO4)C(=O)C=CC(=O)O
CCOc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)C=CC(=O)O)Cc1ccc2c(c1)OCO2
InChI=1SC24H22N2O8c1232176416(5717)2622(28)1218(24(26)31)25(21(27)91023(29)30)1315381920(1115)34143319h31118H21214H21H3(H2930)b109+
MFCD01625846
STK096193
ZINC000000842681
ZINC000018143304

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Available files

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