Vitas-M small molecule compound

(4-bromo-3-methoxynaphthalen-2-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone

Catalog ID
STK243715
SMILES COc1c(cc2c(c1Br)cccc2)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

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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 C22H20BrN3O4 MW 470.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3O4/c1-30-21-19(14-15-4-2-3-5-18(15)20(21)23)22(27)25-12-10-24(11-13-25)16-6-8-17(9-7-16)26(28)29/h2-9,14H,10-13H2,1H3
InChIKey
QYXBSPIKUNOZSB-UHFFFAOYSA-N
Synonyms
831252-77-8
(4bromo3methoxynaphthalen2yl)(4(4nitrophenyl)piperazin1yl)methanone
831252778
COC1=C(C2=CC=CC=C2C=C1C(=O)N3CCN(CC3)C4=CC=C(C=C4)(N+)(=O)(O))Br
COc1c(cc2c(c1Br)cccc2)C(=O)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H20BrN3O4c1302119(1415423518(15)20(21)23)22(27)25121024(111325)166817(9716)26(28)29h2914H1013H21H3
MFCD06007010
ZINC000008741452
ZINC08741452
ZINC8741452

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Available files

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