Vitas-M small molecule compound
4-(5-bromothiophen-2-yl)-6-hydroxy-1-(propan-2-yl)-1,2,4,5-tetrahydro-3H-pyrazolo[3,4-b]pyridin-3-one
Catalog ID
STL156026
SMILES OC1=Nc2c(C(C1)c1ccc(s1)Br)c(=O)[nH]n2C(C)C
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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 C13H14BrN3O2S MW 356.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14BrN3O2S/c1-6(2)17-12-11(13(19)16-17)7(5-10(18)15-12)8-3-4-9(14)20-8/h3-4,6-7H,5H2,1-2H3,(H,15,18)(H,16,19)InChIKey
XQIYJKCKPACAMT-UHFFFAOYSA-NSynonyms
1310936-86-71310936867
4(5bromothiophen2yl)1propan2yl2457tetrahydropyrazolo(34b)pyridine36dione
4(5bromothiophen2yl)6hydroxy1(propan2yl)1245tetrahydro3Hpyrazolo(34b)pyridin3one
CC(C)N1C2=C(C(CC(=O)N2)C3=CC=C(S3)Br)C(=O)N1
InChI=1SC13H14BrN3O2Sc16(2)171211(13(19)1617)7(510(18)1512)8349(14)208h3467H5H212H3(H1518)(H1619)
MFCD20757527
OC1=Nc2c(C(C1)c1ccc(s1)Br)c(=O)(nH)n2C(C)C
ZINC000071281544
ZINC000071281546
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