Vitas-M small molecule compound

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

Catalog ID
STK619481
SMILES CN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(=O)c(c2)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)13-18-19(25)7-4-15-12-17(21(26)27-20(15)18)14-2-5-16(22)6-3-14/h2-7,12,25H,8-11,13H2,1H3
InChIKey
RKMPYXMVYPFPJJ-UHFFFAOYSA-N
Synonyms
827002-89-1
3(4CHLOROPHENYL)7HYDROXY8((4METHYLPIPERAZIN1YL)METHYL)CHROMEN2ONE
3(4CHLOROPHENYL)7HYDROXY8((4METHYLPIPERAZINYL)METHYL)CHROMEN2ONE
3(4chlorophenyl)8((4methylpiperazin1ium1yl)methyl)2oxo2Hchromen7olate
3(4chlorophenyl)8((4methylpiperazin1ium1yl)methyl)2oxochromen7olate
CN1CC(NH+)(CC1)Cc1c((O))ccc2c1oc(=O)c(c2)c1ccc(cc1)Cl
CN1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC=C(C=C4)Cl)(O)
InChI=1SC21H21ClN2O3c12381024(11923)131819(25)74151217(21(26)2720(15)18)142516(22)6314h271225H81113H21H3
MFCD06002734
ZINC000020426509
ZINC20426509

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Available files

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