Vitas-M small molecule compound

ethyl 4-(2,5-dioxo-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidin-1-yl)benzoate

Catalog ID
STK016055
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)CC(C1=O)N1CCN(CC1)C/C=C/c1ccccc1

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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 C26H29N3O4 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O4/c1-2-33-26(32)21-10-12-22(13-11-21)29-24(30)19-23(25(29)31)28-17-15-27(16-18-28)14-6-9-20-7-4-3-5-8-20/h3-13,23H,2,14-19H2,1H3/b9-6+
InChIKey
JGSSJLAZAZTHQB-RMKNXTFCSA-N
Synonyms
1164109-59-4
(E)ethyl4(3(4cinnamylpiperazin1yl)25dioxopyrrolidin1yl)benzoate
1164109594
CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)CC=CC4=CC=CC=C4
CCOC(=O)c1ccc(cc1)N1C(=O)CC(C1=O)N1CCN(CC1)CC=Cc1ccccc1
ETHYL4(25DIOXO3(4((2E)3PHENYLPROP2EN1YL)PIPERAZIN1YL)PYRROLIDIN1YL)BENZOATE
ETHYL4(25DIOXO3(4((E)3PHENYLPROP2ENYL)PIPERAZIN1YL)PYRROLIDIN1YL)BENZOATE
ETHYL4(3(4((2E)3PHENYLPROP2ENYL)PIPERAZINYL)25DIOXOAZOLIDINYL)BENZOATE
InChI=1SC26H29N3O4c123326(32)21101222(131121)2924(30)1923(25(29)31)28171527(161828)1469207435820h31323H21419H21H3b96+
MFCD01820362
STK016055
ZINC000022876237
ZINC000100082432

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Available files

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