Vitas-M small molecule compound

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

Catalog ID
STK845561
SMILES COc1cccc(c1)C(=O)Oc1ccc2c(c1C)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 C25H17NO5S MW 443.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17NO5S/c1-14-20(31-25(28)15-6-5-7-16(12-15)29-2)11-10-17-22(27)18(13-30-23(14)17)24-26-19-8-3-4-9-21(19)32-24/h3-13H,1-2H3
InChIKey
YEINXDLUTFRMEZ-UHFFFAOYSA-N
Synonyms
578700-05-7
(3(13BENZOTHIAZOL2YL)8METHYL4OXOCHROMEN7YL)3METHOXYBENZOATE
3(13benzothiazol2yl)8methyl4oxo4Hchromen7yl3methoxybenzoate
3(BENZO(D)THIAZOL2YL)8METHYL4OXO4HCHROMEN7YL3METHOXYBENZOATE
3BENZOTHIAZOL2YL8METHYL4OXOCHROMEN7YL3METHOXYBENZOATE
578700057
CC1=C(C=CC2=C1OC=C(C2=O)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC(=CC=C5)OC
InChI=1SC25H17NO5Sc11420(3125(28)1565716(1215)292)11101722(27)18(133023(14)17)242619834921(19)3224h313H12H3
MFCD04029253
ZINC000001463818
ZINC01463818
ZINC1463818

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Available files

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