Vitas-M small molecule compound

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

Catalog ID
STK000619
SMILES OC(=O)/C=C/C(=O)N(C1CC(=O)N(C1=O)c1ccc(cc1)Br)CCc1ccccc1

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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 C22H19BrN2O5 MW 471.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN2O5/c23-16-6-8-17(9-7-16)25-20(27)14-18(22(25)30)24(19(26)10-11-21(28)29)13-12-15-4-2-1-3-5-15/h1-11,18H,12-14H2,(H,28,29)/b11-10+
InChIKey
SQSHECBEQUHKAL-ZHACJKMWSA-N
Synonyms

(2E)3(N(1(4BROMOPHENYL)25DIOXOAZOLIDIN3YL)N(2PHENYLETHYL)CARBAMOYL)PROP2ENOICACID
(2E)4((1(4BROMOPHENYL)25DIOXOPYRROLIDIN3YL)(2PHENYLETHYL)AMINO)4OXOBUT2ENOICACID
(E)4((1(4bromophenyl)25dioxopyrrolidin3yl)(2phenylethyl)amino)4oxobut2enoicacid
(E)4((1(4bromophenyl)25dioxopyrrolidin3yl)(phenethyl)amino)4oxobut2enoicacid
(E)4((1(4BROMOPHENYL)25DIOXOPYRROLIDIN3YL)PHENETHYLAMINO)4OXOBUT2ENOICACID
C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)N(CCC3=CC=CC=C3)C(=O)C=CC(=O)O
InChI=1SC22H19BrN2O5c23166817(9716)2520(27)1418(22(25)30)24(19(26)101121(28)29)1312154213515h11118H1214H2(H2829)b1110+
MFCD00759160
OC(=O)C=CC(=O)N(C1CC(=O)N(C1=O)c1ccc(cc1)Br)CCc1ccccc1
STK000619
ZINC000002286850
ZINC000019707515

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.