Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-[1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
Catalog ID
STL410085
SMILES CC1=Nc2c(C(S1)c1c(C)nn(c1C)C1CCS(=O)(=O)C1)c(=O)[nH]n2C1CCOC(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 C22H31N5O4S2 MW 493.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N5O4S2/c1-12-17(13(2)26(24-12)16-7-9-33(29,30)11-16)19-18-20(23-14(3)32-19)27(25-21(18)28)15-6-8-31-22(4,5)10-15/h15-16,19H,6-11H2,1-5H3,(H,25,28)InChIKey
YSJBRVPFIZGJLO-UHFFFAOYSA-NSynonyms
1574360-63-61(22dimethyloxan4yl)4(1(11dioxothiolan3yl)35dimethylpyrazol4yl)6methyl24dihydropyrazolo(34d)(13)thiazin3one
1(22dimethyltetrahydro2Hpyran4yl)4(1(11dioxidotetrahydrothiophen3yl)35dimethyl1Hpyrazol4yl)6methyl12dihydropyrazolo(34d)(13)thiazin3(4H)one
1(22dimethyltetrahydro2Hpyran4yl)4(1(11dioxidotetrahydrothiophen3yl)35dimethyl1Hpyrazol4yl)6methyl14dihydropyrazolo(34d)(13)thiazin3(2H)one
1574360636
CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)C3C4=C(N=C(S3)C)N(NC4=O)C5CCOC(C5)(C)C
CC1=Nc2c(C(S1)c1c(C)nn(c1C)C1CCS(=O)(=O)C1)c(=O)(nH)n2C1CCOC(C1)(C)C
InChI=1SC22H31N5O4S2c11217(13(2)26(2412)167933(2930)1116)191820(2314(3)3219)27(2521(18)28)15683122(45)1015h151619H611H215H3(H2528)
MFCD28056342
ZINC000096117442
ZINC000096117445
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.