Vitas-M small molecule compound

1-(3,4-dihydroxyphenyl)-2-[(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]ethanone

Catalog ID
STK954272
SMILES Cc1cc(SCC(=O)c2ccc(c(c2)O)O)n2c(n1)c(c1ccccc1)c(n2)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 C22H19N3O3S MW 405.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O3S/c1-13-10-20(29-12-19(28)16-8-9-17(26)18(27)11-16)25-22(23-13)21(14(2)24-25)15-6-4-3-5-7-15/h3-11,26-27H,12H2,1-2H3
InChIKey
HCUVOVMXCRQQCR-UHFFFAOYSA-N
Synonyms
862191-67-1
1(34BIS(OXIDANYL)PHENYL)2(25DIMETHYL3PHENYLPYRAZOLO(15A)PYRIMIDIN7YL)SULFANYLETHANONE
1(34DIHYDROXYPHENYL)2((25DIMETHYL3PHENYL7PYRAZOLO(15A)PYRIMIDINYL)THIO)ETHANONE
1(34dihydroxyphenyl)2((25dimethyl3phenylpyrazolo(15a)pyrimidin7yl)sulfanyl)ethanone
1(34DIHYDROXYPHENYL)2((25DIMETHYL3PHENYLPYRAZOLO(15A)PYRIMIDIN7YL)THIO)ETHANONE
1(34DIHYDROXYPHENYL)2(25DIMETHYL3PHENYL(8HYDROPYRAZOLO(15A)PYRIMIDIN7YLTHIO))ETHAN1ONE
1(34DIHYDROXYPHENYL)2(25DIMETHYL3PHENYLPYRAZOLO(15A)PYRIMIDIN7YL)SULFANYLETHANONE
1(34DIHYDROXYPHENYL)2(25DIMETHYL3PHENYLPYRAZOLO(15A)PYRIMIDIN7YLSULFANYL)ETHANONE
862191671
CC1=NC2=C(C(=NN2C(=C1)SCC(=O)C3=CC(=C(C=C3)O)O)C)C4=CC=CC=C4
InChI=1SC22H19N3O3Sc1131020(291219(28)168917(26)18(27)1116)2522(2313)21(14(2)2425)156435715h3112627H12H212H3
MFCD05696213
ZINC000005532912
ZINC05532912
ZINC5532912

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Available files

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