Vitas-M small molecule compound
(2Z)-2-(2,6-dichlorobenzylidene)-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK572530
SMILES O=C1/C(=C/c2c(Cl)cccc2Cl)/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/c21-15-4-3-5-16(22)13(15)10-18-19(25)12-6-7-17(24)14(20(12)26-18)11-23-8-1-2-9-23/h3-7,10,24H,1-2,8-9,11H2/b18-10-InChIKey
AASPCRGBKBRQON-ZDLGFXPLSA-NSynonyms
896599-63-6(2Z)2(26dichlorobenzylidene)3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
C1CCN(C1)CC2=C(C=CC3=C2OC(=CC4=C(C=CC=C4Cl)Cl)C3=O)O
InChI=1SC20H17Cl2NO3c211543516(22)13(15)101819(25)126717(24)14(20(12)2618)1123812923h371024H128911H2b1810
MFCD06594587
O=C1C(=Cc2c(Cl)cccc2Cl)Oc2c1ccc(c2C(NH+)1CCCC1)(O)
ZINC000002196051
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