Vitas-M small molecule compound

3-(1,3-benzothiazol-2-yl)-4-oxo-8-(pyrrolidinium-1-ylmethyl)-4H-chromen-7-olate

Catalog ID
STK586567
SMILES [O-]c1ccc2c(c1C[NH+]1CCCC1)occ(c2=O)c1nc2c(s1)cccc2

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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 C21H18N2O3S MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O3S/c24-17-8-7-13-19(25)15(21-22-16-5-1-2-6-18(16)27-21)12-26-20(13)14(17)11-23-9-3-4-10-23/h1-2,5-8,12,24H,3-4,9-11H2
InChIKey
BFZGVEBKRNNBIQ-UHFFFAOYSA-N
Synonyms
637747-64-9
(O)c1ccc2c(c1C(NH+)1CCCC1)occ(c2=O)c1nc2c(s1)cccc2
3(13benzothiazol2yl)4oxo8(pyrrolidinium1ylmethyl)4Hchromen7olate
3(13BENZOTHIAZOL2YL)7HYDROXY8(PYRROLIDIN1YLMETHYL)CHROMEN4ONE
3BENZOTHIAZOL2YL7HYDROXY8(PYRROLIDINYLMETHYL)CHROMEN4ONE
637747649
C1CCN(C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=NC5=CC=CC=C5S4)O
InChI=1SC21H18N2O3Sc2417871319(25)15(212216512618(16)2721)122620(13)14(17)11239341023h12581224H34911H2
MFCD03686638
ZINC000020228283
ZINC20228283

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Available files

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