Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-5-butyl-4-hydroxy-6-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Catalog ID
STL151531
SMILES CCCCc1c(C)nc2c(c1O)c(=O)n([nH]2)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 C18H18N4O2S MW 354.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O2S/c1-3-4-7-11-10(2)19-16-14(15(11)23)17(24)22(21-16)18-20-12-8-5-6-9-13(12)25-18/h5-6,8-9H,3-4,7H2,1-2H3,(H2,19,21,23)InChIKey
FFGMRMYMYOGDLW-UHFFFAOYSA-NSynonyms
899380-24-62(13BENZOTHIAZOL2YL)5BUTYL4HYDROXY6METHYL12DIHYDRO3HPYRAZOLO(34B)PYRIDIN3ONE
2(13BENZOTHIAZOL2YL)5BUTYL6METHYL17DIHYDROPYRAZOLO(34B)PYRIDINE34DIONE
899380246
CCCCC1=C(NC2=C(C1=O)C(=O)N(N2)C3=NC4=CC=CC=C4S3)C
CCCCc1c(C)nc2c(c1O)c(=O)n((nH)2)c1nc2c(s1)cccc2
InChI=1SC18H18N4O2Sc13471110(2)191614(15(11)23)17(24)22(2116)182012856913(12)2518h5689H347H212H3(H2192123)
MFCD08729596
ZINC000009067109
ZINC09067109
ZINC9067109
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