Vitas-M small molecule compound

(2E)-N-[4-(acetylamino)phenyl]-3-(1,3-benzodioxol-5-yl)prop-2-enamide

Catalog ID
STK080232
SMILES CC(=O)Nc1ccc(cc1)NC(=O)/C=C/c1ccc2c(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 C18H16N2O4 MW 324.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O4/c1-12(21)19-14-4-6-15(7-5-14)20-18(22)9-3-13-2-8-16-17(10-13)24-11-23-16/h2-10H,11H2,1H3,(H,19,21)(H,20,22)/b9-3+
InChIKey
SSHNKEATVIAUHV-YCRREMRBSA-N
Synonyms
86181-72-8
(2E)3(2HBENZO(34D)13DIOXOLEN5YL)N(4(ACETYLAMINO)PHENYL)PROP2ENAMIDE
(2E)N(4(ACETYLAMINO)PHENYL)3(13BENZODIOXOL5YL)PROP2ENAMIDE
(E)N(4ACETAMIDOPHENYL)3(13BENZODIOXOL5YL)PROP2ENAMIDE
(E)N(4acetamidophenyl)3(benzo(d)(13)dioxol5yl)acrylamide
86181728
CC(=O)NC1=CC=C(C=C1)NC(=O)C=CC2=CC3=C(C=C2)OCO3
CC(=O)Nc1ccc(cc1)NC(=O)C=Cc1ccc2c(c1)OCO2
InChI=1SC18H16N2O4c112(21)19144615(7514)2018(22)9313281617(1013)24112316h210H11H21H3(H1921)(H2022)b93+
MFCD02861476
N(4(ACETYLAMINO)PHENYL)3(13BENZODIOXOL5YL)ACRYLAMIDE
STK080232
ZINC000000182377
ZINC00182377
ZINC182377

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Available files

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