Vitas-M small molecule compound

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

Catalog ID
STK083587
SMILES COc1ccc(cc1)CCN(C1CC(=O)N(C1=O)c1ccc(cc1)F)C(=O)/C=C/C(=O)O

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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 C23H21FN2O6 MW 440.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21FN2O6/c1-32-18-8-2-15(3-9-18)12-13-25(20(27)10-11-22(29)30)19-14-21(28)26(23(19)31)17-6-4-16(24)5-7-17/h2-11,19H,12-14H2,1H3,(H,29,30)/b11-10+
InChIKey
UAKISVCGHUHSEG-ZHACJKMWSA-N
Synonyms

(2E)3(N(1(4FLUOROPHENYL)25DIOXOAZOLIDIN3YL)N(2(4METHOXYPHENYL)ETHYL)CARBAMOYL)PROP2ENOICACID
(2E)4((1(4FLUOROPHENYL)25DIOXOPYRROLIDIN3YL)(2(4METHOXYPHENYL)ETHYL)AMINO)4OXOBUT2ENOICACID
(E)4((1(4FLUOROPHENYL)25DIOXOPYRROLIDIN3YL)(2(4METHOXYPHENYL)ETHYL)AMINO)4OXOBUT2ENOICACID
(E)4((1(4fluorophenyl)25dioxopyrrolidin3yl)(4methoxyphenethyl)amino)4oxobut2enoicacid
COC1=CC=C(C=C1)CCN(C2CC(=O)N(C2=O)C3=CC=C(C=C3)F)C(=O)C=CC(=O)O
COc1ccc(cc1)CCN(C1CC(=O)N(C1=O)c1ccc(cc1)F)C(=O)C=CC(=O)O
InChI=1SC23H21FN2O6c132188215(3918)121325(20(27)101122(29)30)191421(28)26(23(19)31)176416(24)5717h21119H1214H21H3(H2930)b1110+
MFCD01239975
STK083587
ZINC000002313000
ZINC000018137093

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Available files

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