Vitas-M small molecule compound

3-(1,3-benzothiazol-2-yl)-8-[(diethylammonio)methyl]-4-oxo-4H-chromen-7-olate

Catalog ID
STK587531
SMILES CC[NH+](Cc1c([O-])ccc2c1occ(c2=O)c1nc2c(s1)cccc2)CC

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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 C21H20N2O3S MW 380.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O3S/c1-3-23(4-2)11-14-17(24)10-9-13-19(25)15(12-26-20(13)14)21-22-16-7-5-6-8-18(16)27-21/h5-10,12,24H,3-4,11H2,1-2H3
InChIKey
QNUDGWBYBGYEGA-UHFFFAOYSA-N
Synonyms
637747-59-2
3(13benzothiazol2yl)8((diethylammonio)methyl)4oxo4Hchromen7olate
CC(NH+)(Cc1c((O))ccc2c1occ(c2=O)c1nc2c(s1)cccc2)CC
CCN(CC)CC1=C(C=CC2=C1OC=C(C2=O)C3=NC4=CC=CC=C4S3)O
InChI=1SC21H20N2O3Sc1323(42)111417(24)1091319(25)15(122620(13)14)212216756818(16)2721h5101224H3411H212H3
MFCD03683814
ZINC000020191867

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Available files

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