Vitas-M small molecule compound

N-{(1Z)-3-(benzylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl}-4-methylbenzamide

Catalog ID
STK701409
SMILES Cc1ccc(cc1)C(=O)N/C(=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/C(=O)NCc1ccccc1

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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 C28H23N3O5 MW 481.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O5/c1-19-10-12-21(13-11-19)27(32)30-25(28(33)29-18-20-6-3-2-4-7-20)17-24-14-15-26(36-24)22-8-5-9-23(16-22)31(34)35/h2-17H,18H2,1H3,(H,29,33)(H,30,32)/b25-17-
InChIKey
JWRLBTKEJLWVGY-UQQQWYQISA-N
Synonyms
330683-51-7
(2Z)2((4METHYLPHENYL)CARBONYLAMINO)3(5(3NITROPHENYL)(2FURYL))NBENZYLPROP2ENAMIDE
(Z)N(3(benzylamino)1(5(3nitrophenyl)furan2yl)3oxoprop1en2yl)4methylbenzamide
330683517
CC1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(O2)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)NCC4=CC=CC=C4
Cc1ccc(cc1)C(=O)NC(=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))C(=O)NCc1ccccc1
InChI=1SC28H23N3O5c119101221(131119)27(32)3025(28(33)2918206324720)1724141526(3624)2285923(1622)31(34)35h217H18H21H3(H2933)(H3032)b2517
MFCD03289244
N((1Z)3(benzylamino)1(5(3nitrophenyl)furan2yl)3oxoprop1en2yl)4methylbenzamide
N((Z)3(benzylamino)1(5(3nitrophenyl)furan2yl)3oxoprop1en2yl)4methylbenzamide
ZINC000009019305
ZINC09019305
ZINC9019305

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Available files

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