Vitas-M small molecule compound

2-amino-3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-7-hydroxy-4H-chromen-4-one

Catalog ID
STK888417
SMILES Nc1oc2c(CN3CCCC(C3)(C)C)c(O)ccc2c(=O)c1c1nc2c(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 C24H25N3O3S MW 435.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O3S/c1-24(2)10-5-11-27(13-24)12-15-17(28)9-8-14-20(29)19(22(25)30-21(14)15)23-26-16-6-3-4-7-18(16)31-23/h3-4,6-9,28H,5,10-13,25H2,1-2H3
InChIKey
QCJMYFCZFFUWDZ-UHFFFAOYSA-N
Synonyms
610759-84-7
2AMINO3(13BENZOTHIAZOL2YL)8((33DIMETHYLPIPERIDIN1IUM1YL)METHYL)4OXOCHROMEN7OLATE
2amino3(13benzothiazol2yl)8((33dimethylpiperidin1yl)methyl)7hydroxy4Hchromen4one
2AMINO3(13BENZOTHIAZOL2YL)8((33DIMETHYLPIPERIDIN1YL)METHYL)7HYDROXYCHROMEN4ONE
2AMINO3(BENZO(D)THIAZOL2YL)8((33DIMETHYLPIPERIDIN1YL)METHYL)7HYDROXY4HCHROMEN4ONE
2AMINO3BENZOTHIAZOL2YL8((33DIMETHYLPIPERIDYL)METHYL)7HYDROXYCHROMEN4ONE
2AMINO3BENZOTHIAZOL2YL8(33DIMETHYLPIPERIDIN1YLMETHYL)7HYDROXYCHROMEN4ONE
610759847
CC1(CCC(NH+)(C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)N)(O))C
InChI=1SC24H25N3O3Sc124(2)1051127(1324)121517(28)981420(29)19(22(25)3021(14)15)232616634718(16)3123h346928H5101325H212H3
MFCD03671478
ZINC000001246578
ZINC1246578

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Available files

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