Vitas-M small molecule compound

ethyl 3-(1,3-benzothiazol-2-yl)-7-[(2,2-dimethylpropanoyl)oxy]-4-oxo-4H-chromene-2-carboxylate

Catalog ID
STK844214
SMILES CCOC(=O)c1oc2cc(ccc2c(=O)c1c1nc2c(s1)cccc2)OC(=O)C(C)(C)C

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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 C24H21NO6S MW 451.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21NO6S/c1-5-29-22(27)20-18(21-25-15-8-6-7-9-17(15)32-21)19(26)14-11-10-13(12-16(14)31-20)30-23(28)24(2,3)4/h6-12H,5H2,1-4H3
InChIKey
HJJNLCNLJWMDEP-UHFFFAOYSA-N
Synonyms
610760-32-2
3BENZOTHIAZOL2YL2(ETHOXYCARBONYL)4OXOCHROMEN7YL22DIMETHYLPROPANOATE
610760322
CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(C)(C)C)C3=NC4=CC=CC=C4S3
ethyl3(13benzothiazol2yl)7((22dimethylpropanoyl)oxy)4oxo4Hchromene2carboxylate
ETHYL3(13BENZOTHIAZOL2YL)7(22DIMETHYLPROPANOYLOXY)4OXOCHROMENE2CARBOXYLATE
ETHYL3(BENZO(D)THIAZOL2YL)4OXO7(PIVALOYLOXY)4HCHROMENE2CARBOXYLATE
InChI=1SC24H21NO6Sc152922(27)2018(212515867917(15)3221)19(26)14111013(1216(14)3120)3023(28)24(23)4h612H5H214H3
MFCD03671284
ZINC000001463820
ZINC01463820
ZINC1463820

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.