Vitas-M small molecule compound
3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidinium-1-yl)methyl]-6-ethyl-4-oxo-4H-chromen-7-olate
Catalog ID
STK563774
SMILES CCc1cc2c(c(c1[O-])C[NH+]1CCCC(C1)(C)C)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 C26H28N2O3S MW 448.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O3S/c1-4-16-12-17-23(30)19(25-27-20-8-5-6-9-21(20)32-25)14-31-24(17)18(22(16)29)13-28-11-7-10-26(2,3)15-28/h5-6,8-9,12,14,29H,4,7,10-11,13,15H2,1-3H3InChIKey
KPEBBTIKYOWPML-UHFFFAOYSA-NSynonyms
637747-37-63(13benzothiazol2yl)8((33dimethylpiperidinium1yl)methyl)6ethyl4oxo4Hchromen7olate
CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)C(NH+)5CCCC(C5)(C)C)(O)
CCc1cc2c(c(c1(O))C(NH+)1CCCC(C1)(C)C)occ(c2=O)c1nc2c(s1)cccc2
InChI=1SC26H28N2O3Sc1416121723(30)19(252720856921(20)3225)143124(17)18(22(16)29)13281171026(23)1528h5689121429H4710111315H213H3
MFCD03671799
ZINC000001794013
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