Vitas-M small molecule compound

methyl 3-{[(5-bromo-2-chlorophenyl)carbonyl]amino}-4-(4-ethylpiperazin-1-yl)benzoate

Catalog ID
STK189125
SMILES CCN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(Br)ccc1Cl)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 C21H23BrClN3O3 MW 480.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrClN3O3/c1-3-25-8-10-26(11-9-25)19-7-4-14(21(28)29-2)12-18(19)24-20(27)16-13-15(22)5-6-17(16)23/h4-7,12-13H,3,8-11H2,1-2H3,(H,24,27)
InChIKey
QGJBPPJYBPYYGD-UHFFFAOYSA-N
Synonyms

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C=CC(=C3)Br)Cl
InChI=1SC21H23BrClN3O3c132581026(11925)197414(21(28)292)1218(19)2420(27)161315(22)5617(16)23h471213H3811H212H3(H2427)
METHYL3(((5BROMO2CHLOROPHENYL)CARBONYL)AMINO)4(4ETHYLPIPERAZIN1YL)BENZOATE
methyl3((5bromo2chlorobenzoyl)amino)4(4ethylpiperazin1yl)benzoate
MFCD06665210
ZINC000012342356
ZINC12342356

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Available files

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