Vitas-M small molecule compound

(2Z)-2-(4-chlorobenzylidene)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3(2H)-one

Catalog ID
STL033436
SMILES CN1CCN(CC1)Cc1c(O)ccc2c1O/C(=C\c1ccc(cc1)Cl)/C2=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 C21H21ClN2O3 MW 384.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O3/c1-23-8-10-24(11-9-23)13-17-18(25)7-6-16-20(26)19(27-21(16)17)12-14-2-4-15(22)5-3-14/h2-7,12,25H,8-11,13H2,1H3/b19-12-
InChIKey
UHEQQBPYLSJKDT-UNOMPAQXSA-N
Synonyms
869078-27-3
(2Z)2((4CHLOROPHENYL)METHYLIDENE)6HYDROXY7((4METHYLPIPERAZIN1YL)METHYL)1BENZOFURAN3ONE
(2Z)2((4chlorophenyl)methylidene)7((4methylpiperazin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(4chlorobenzylidene)6hydroxy7((4methylpiperazin1yl)methyl)1benzofuran3(2H)one
2((4CHLOROPHENYL)METHYLENE)6HYDROXY7((4METHYLPIPERAZINYL)METHYL)BENZO(B)FURAN3ONE
869078273
CN1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)Cl)C3=O)(O)
CN1CCN(CC1)Cc1c(O)ccc2c1OC(=Cc1ccc(cc1)Cl)C2=O
InChI=1SC21H21ClN2O3c12381024(11923)131718(25)761620(26)19(2721(16)17)12142415(22)5314h271225H81113H21H3b1912
MFCD06737475
ZINC000022575475
ZINC22575475

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Available files

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