Vitas-M small molecule compound
(2Z)-2-(3,4-dichlorobenzylidene)-7-[(dimethylammonio)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK850178
SMILES C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(c(c1)Cl)Cl)/C2=O)C
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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 C18H15Cl2NO3 MW 364.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15Cl2NO3/c1-21(2)9-12-15(22)6-4-11-17(23)16(24-18(11)12)8-10-3-5-13(19)14(20)7-10/h3-8,22H,9H2,1-2H3/b16-8-InChIKey
CKHSZRZJPOCIOT-PXNMLYILSA-NSynonyms
899388-00-2(2Z)2((34dichlorophenyl)methylidene)7((dimethylazaniumyl)methyl)3oxo1benzofuran6olate
(2Z)2(34dichlorobenzylidene)7((dimethylammonio)methyl)3oxo23dihydro1benzofuran6olate
899388002
C(NH+)(C)CC1=C(C=CC2=C1OC(=CC3=CC(=C(C=C3)Cl)Cl)C2=O)(O)
C(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccc(c(c1)Cl)Cl)C2=O)C
InChI=1SC18H15Cl2NO3c121(2)91215(22)641117(23)16(2418(11)12)8103513(19)14(20)710h3822H9H212H3b168
MFCD06608477
ZINC000020533286
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