Vitas-M small molecule compound

3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-4H-chromen-7-yl 3-cyclopentylpropanoate

Catalog ID
STK840663
SMILES O=C(Oc1ccc2c(c1C)occ(c2=O)c1nc2c(s1)cccc2)CCC1CCCC1

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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 C25H23NO4S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23NO4S/c1-15-20(30-22(27)13-10-16-6-2-3-7-16)12-11-17-23(28)18(14-29-24(15)17)25-26-19-8-4-5-9-21(19)31-25/h4-5,8-9,11-12,14,16H,2-3,6-7,10,13H2,1H3
InChIKey
PCDBUTKIPQXLLZ-UHFFFAOYSA-N
Synonyms
384353-82-6
(3(13BENZOTHIAZOL2YL)8METHYL4OXOCHROMEN7YL)3CYCLOPENTYLPROPANOATE
3(13benzothiazol2yl)8methyl4oxo4Hchromen7yl3cyclopentylpropanoate
3(BENZO(D)THIAZOL2YL)8METHYL4OXO4HCHROMEN7YL3CYCLOPENTYLPROPANOATE
384353826
3BENZOTHIAZOL2YL8METHYL4OXOCHROMEN7YL3CYCLOPENTYLPROPANOATE
CC1=C(C=CC2=C1OC=C(C2=O)C3=NC4=CC=CC=C4S3)OC(=O)CCC5CCCC5
InChI=1SC25H23NO4Sc11520(3022(27)131016623716)12111723(28)18(142924(15)17)252619845921(19)3125h458911121416H23671013H21H3
MFCD03146844
ZINC000001779864
ZINC01779864
ZINC1779864

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Available files

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