Vitas-M small molecule compound

3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-4H-chromen-4-one

Catalog ID
STK888555
SMILES CCc1cc2c(c(c1O)CN1CCCCC1C)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 C25H26N2O3S MW 434.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O3S/c1-3-16-12-17-23(29)19(25-26-20-9-4-5-10-21(20)31-25)14-30-24(17)18(22(16)28)13-27-11-7-6-8-15(27)2/h4-5,9-10,12,14-15,28H,3,6-8,11,13H2,1-2H3
InChIKey
ZNAPBJMDFYLPRS-UHFFFAOYSA-N
Synonyms
637747-34-3
3(13benzothiazol2yl)6ethyl7hydroxy8((2methylpiperidin1yl)methyl)4Hchromen4one
637747343
CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)CN5CCCCC5C)O
InChI=1SC25H26N2O3Sc1316121723(29)19(2526209451021(20)3125)143024(17)18(22(16)28)13271176815(27)2h4591012141528H3681113H212H3

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Available files

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