Vitas-M small molecule compound

N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide

Catalog ID
STK765876
SMILES COc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)c1cccc(c1)F)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 C26H21FN2O6 MW 476.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21FN2O6/c1-33-20-8-6-19(7-9-20)29-24(30)13-21(26(29)32)28(25(31)17-3-2-4-18(27)12-17)14-16-5-10-22-23(11-16)35-15-34-22/h2-12,21H,13-15H2,1H3
InChIKey
VDQOEDHNHSMKFD-UHFFFAOYSA-N
Synonyms

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC3=CC4=C(C=C3)OCO4)C(=O)C5=CC(=CC=C5)F
InChI=1SC26H21FN2O6c133208619(7920)2924(30)1321(26(29)32)28(25(31)1732418(27)1217)14165102223(1116)35153422h21221H1315H21H3
MFCD02934306
N(13benzodioxol5ylmethyl)3fluoroN(1(4methoxyphenyl)25dioxopyrrolidin3yl)benzamide
ZINC000000718591
ZINC000100105690

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Available files

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