Vitas-M small molecule compound
4-[3,5-dimethyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl]-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL409316
SMILES OC1=Nc2n([nH]c(=O)c2C(SC1)c1c(C)nn(c1C)c1ccccn1)C1CCOC(C1)(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 C23H28N6O3S MW 468.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N6O3S/c1-13-18(14(2)28(26-13)16-7-5-6-9-24-16)20-19-21(25-17(30)12-33-20)29(27-22(19)31)15-8-10-32-23(3,4)11-15/h5-7,9,15,20H,8,10-12H2,1-4H3,(H,25,30)(H,27,31)InChIKey
UBFIHLMZCHZMTL-UHFFFAOYSA-NSynonyms
1574517-55-71(22dimethyloxan4yl)4(35dimethyl1pyridin2ylpyrazol4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1574517557
4(35dimethyl1(pyridin2yl)1Hpyrazol4yl)1(22dimethyltetrahydro2Hpyran4yl)7hydroxy1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC1=C(C(=NN1C2=CC=CC=N2)C)C3C4=C(NC(=O)CS3)N(NC4=O)C5CCOC(C5)(C)C
InChI=1SC23H28N6O3Sc11318(14(2)28(2613)1675692416)201921(2517(30)123320)29(2722(19)31)158103223(34)1115h5791520H81012H214H3(H2530)(H2731)
MFCD30705654
OC1=Nc2n((nH)c(=O)c2C(SC1)c1c(C)nn(c1C)c1ccccn1)C1CCOC(C1)(C)C
ZINC000096118170
ZINC000096118173
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