Vitas-M small molecule compound

methyl 3-{[(1E)-3-(4-bromophenyl)-3-oxoprop-1-en-1-yl]amino}-4,5-diethoxybenzoate

Catalog ID
STK902459
SMILES CCOc1c(N/C=C/C(=O)c2ccc(cc2)Br)cc(cc1OCC)C(=O)OC

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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 C21H22BrNO5 MW 448.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrNO5/c1-4-27-19-13-15(21(25)26-3)12-17(20(19)28-5-2)23-11-10-18(24)14-6-8-16(22)9-7-14/h6-13,23H,4-5H2,1-3H3/b11-10+
InChIKey
CBNOPMUZUFDTRP-ZHACJKMWSA-N
Synonyms

CCOC1=CC(=CC(=C1OCC)NC=CC(=O)C2=CC=C(C=C2)Br)C(=O)OC
CCOc1c(NC=CC(=O)c2ccc(cc2)Br)cc(cc1OCC)C(=O)OC
InChI=1SC21H22BrNO5c1427191315(21(25)263)1217(20(19)2852)23111018(24)146816(22)9714h61323H45H213H3b1110+
methyl3(((1E)3(4bromophenyl)3oxoprop1en1yl)amino)45diethoxybenzoate
methyl3(((E)3(4bromophenyl)3oxoprop1enyl)amino)45diethoxybenzoate
MFCD18174976
ZINC000044843455
ZINC44843455

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Available files

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