Vitas-M small molecule compound

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

Catalog ID
STK888452
SMILES CCOC(=O)c1oc2cc(ccc2c(=O)c1c1nc2c(s1)cccc2)OC(=O)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 C27H25NO6S MW 491.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO6S/c1-2-32-27(31)25-23(26-28-19-9-5-6-10-21(19)35-26)24(30)18-13-12-17(15-20(18)34-25)33-22(29)14-11-16-7-3-4-8-16/h5-6,9-10,12-13,15-16H,2-4,7-8,11,14H2,1H3
InChIKey
ALEFBDGETBQIIP-UHFFFAOYSA-N
Synonyms
610760-62-8
3BENZOTHIAZOL2YL2(ETHOXYCARBONYL)4OXOCHROMEN7YL3CYCLOPENTYLPROPANOATE
610760628
CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CCC3CCCC3)C4=NC5=CC=CC=C5S4
ethyl3(13benzothiazol2yl)7((3cyclopentylpropanoyl)oxy)4oxo4Hchromene2carboxylate
ETHYL3(13BENZOTHIAZOL2YL)7(3CYCLOPENTYLPROPANOYLOXY)4OXOCHROMENE2CARBOXYLATE
ethyl3(benzo(d)thiazol2yl)7((3cyclopentylpropanoyl)oxy)4oxo4Hchromene2carboxylate
InChI=1SC27H25NO6Sc123227(31)2523(2628199561021(19)3526)24(30)18131217(1520(18)3425)3322(29)141116734816h5691012131516H24781114H21H3
MFCD03668797
ZINC000011867706
ZINC11867706

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Available files

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