Vitas-M small molecule compound
(2Z)-2-(3,4-dichlorobenzylidene)-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK618888
SMILES O=C1/C(=C/c2ccc(c(c2)Cl)Cl)/Oc2c1ccc(c2C[NH+]1CCCC1)[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 C20H17Cl2NO3 MW 390.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17Cl2NO3/c21-15-5-3-12(9-16(15)22)10-18-19(25)13-4-6-17(24)14(20(13)26-18)11-23-7-1-2-8-23/h3-6,9-10,24H,1-2,7-8,11H2/b18-10-InChIKey
NKYKTRQXWHAMAZ-ZDLGFXPLSA-NSynonyms
929397-80-8(2Z)2(34dichlorobenzylidene)3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
2((34DICHLOROPHENYL)METHYLENE)6HYDROXY7(PYRROLIDINYLMETHYL)BENZO(B)FURAN3ONE
MFCD09791757
O=C1C(=Cc2ccc(c(c2)Cl)Cl)Oc2c1ccc(c2C(NH+)1CCCC1)(O)
ZINC000013655725
ZINC13655725
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