Vitas-M small molecule compound

(2Z)-2-(4-bromobenzylidene)-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK847747
SMILES Brc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(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 C20H18BrNO3 MW 400.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrNO3/c21-14-5-3-13(4-6-14)11-18-19(24)15-7-8-17(23)16(20(15)25-18)12-22-9-1-2-10-22/h3-8,11,23H,1-2,9-10,12H2/b18-11-
InChIKey
MMDMYZWOYIIQKP-WQRHYEAKSA-N
Synonyms
896844-79-4
(2Z)2((4bromophenyl)methylidene)3oxo7(pyrrolidin1ium1ylmethyl)1benzofuran6olate
(2Z)2(4bromobenzylidene)3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
896844794
Brc1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCC1)(O)
C1CC(NH+)(C1)CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)Br)C3=O)(O)
InChI=1SC20H18BrNO3c21145313(4614)111819(24)157817(23)16(20(15)2518)12229121022h381123H1291012H2b1811
MFCD06602097
ZINC000002230941

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Available files

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