Vitas-M small molecule compound

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

Catalog ID
STK836307
SMILES Cc1ccc(cc1)C(=O)N/C(=C/c1ccc(o1)c1ccc(cc1)Br)/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 C28H23BrN2O3 MW 515.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23BrN2O3/c1-19-7-9-22(10-8-19)27(32)31-25(28(33)30-18-20-5-3-2-4-6-20)17-24-15-16-26(34-24)21-11-13-23(29)14-12-21/h2-17H,18H2,1H3,(H,30,33)(H,31,32)/b25-17+
InChIKey
OFCPBCQGYADPKV-KOEQRZSOSA-N
Synonyms
305869-36-7
(2E)NBENZYL3(5(4BROMOPHENYL)FURAN2YL)2((4METHYLPHENYL)FORMAMIDO)PROP2ENAMIDE
(E)N(3(benzylamino)1(5(4bromophenyl)furan2yl)3oxoprop1en2yl)4methylbenzamide
305869367
CC1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(O2)C3=CC=C(C=C3)Br)C(=O)NCC4=CC=CC=C4
Cc1ccc(cc1)C(=O)NC(=Cc1ccc(o1)c1ccc(cc1)Br)C(=O)NCc1ccccc1
InChI=1SC28H23BrN2O3c1197922(10819)27(32)3125(28(33)3018205324620)1724151626(3424)21111323(29)141221h217H18H21H3(H3033)(H3132)b2517+
MFCD00321143
N((1E)3(benzylamino)1(5(4bromophenyl)furan2yl)3oxoprop1en2yl)4methylbenzamide
N((E)3(BENZYLAMINO)1(5(4BROMOPHENYL)FURAN2YL)3OXOPROP1EN2YL)4METHYLBENZAMIDE
ZINC000002257332
ZINC02257332
ZINC2257332

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Available files

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