Vitas-M small molecule compound

3-[(4-chlorophenyl)carbonyl]-4-[(4-methylpiperazin-1-ium-1-yl)methyl]-1-benzofuran-5-olate

Catalog ID
STL492210
SMILES CN1CC[NH+](CC1)Cc1c([O-])ccc2c1c(co2)C(=O)c1ccc(cc1)Cl

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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 C21H21ClN2O3 MW 384.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O3/c1-23-8-10-24(11-9-23)12-16-18(25)6-7-19-20(16)17(13-27-19)21(26)14-2-4-15(22)5-3-14/h2-7,13,25H,8-12H2,1H3
InChIKey
PMSXGZGYATWSFW-UHFFFAOYSA-N
Synonyms

(4chlorophenyl)(5hydroxy4((4methylpiperazin1yl)methyl)1benzofuran3yl)methanone
3((4chlorophenyl)carbonyl)4((4methylpiperazin1ium1yl)methyl)1benzofuran5olate
CN1CC(NH+)(CC1)Cc1c((O))ccc2c1c(co2)C(=O)c1ccc(cc1)Cl
CN1CCN(CC1)CC2=C(C=CC3=C2C(=CO3)C(=O)C4=CC=C(C=C4)Cl)O
InChI=1SC21H21ClN2O3c12381024(11923)121618(25)671920(16)17(132719)21(26)142415(22)5314h271325H812H21H3
MFCD01303884
ZINC000105090118

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Available files

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