Vitas-M small molecule compound

3-(4-bromophenyl)-2-(ethoxycarbonyl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-4H-chromen-7-olate

Catalog ID
STK563565
SMILES CCOC(=O)c1oc2c(C[NH+]3CCN(CC3)C)c([O-])ccc2c(=O)c1c1ccc(cc1)Br

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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 C24H25BrN2O5 MW 501.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25BrN2O5/c1-3-31-24(30)23-20(15-4-6-16(25)7-5-15)21(29)17-8-9-19(28)18(22(17)32-23)14-27-12-10-26(2)11-13-27/h4-9,28H,3,10-14H2,1-2H3
InChIKey
QXAKUNVCWTUYJV-UHFFFAOYSA-N
Synonyms
637746-83-9
3(4bromophenyl)2(ethoxycarbonyl)8((4methylpiperazin1ium1yl)methyl)4oxo4Hchromen7olate
CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)(O))C(NH+)3CCN(CC3)C)C4=CC=C(C=C4)Br
CCOC(=O)c1oc2c(C(NH+)3CCN(CC3)C)c((O))ccc2c(=O)c1c1ccc(cc1)Br
InChI=1SC24H25BrN2O5c133124(30)2320(154616(25)7515)21(29)178919(28)18(22(17)3223)1427121026(2)111327h4928H31014H212H3
MFCD03672492
ZINC000020170838

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Available files

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