Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-(1-methyl-1H-pyrazol-5-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL421487
SMILES OC1=Nc2c(C(SC1)c1ccnn1C)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 C17H23N5O3S MW 377.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23N5O3S/c1-17(2)8-10(5-7-25-17)22-15-13(16(24)20-22)14(26-9-12(23)19-15)11-4-6-18-21(11)3/h4,6,10,14H,5,7-9H2,1-3H3,(H,19,23)(H,20,24)InChIKey
LUEVQLWKZTZJOA-UHFFFAOYSA-NSynonyms
1630899-78-31(22dimethyloxan4yl)4(2methylpyrazol3yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(1methyl1Hpyrazol5yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1630899783
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC=NN4C)C(=O)N2)C
InChI=1SC17H23N5O3Sc117(2)810(572517)221513(16(24)2022)14(26912(23)1915)11461821(11)3h461014H579H213H3(H1923)(H2024)
MFCD30707557
OC1=Nc2c(C(SC1)c1ccnn1C)c(=O)(nH)n2C1CCOC(C1)(C)C
ZINC000218307119
ZINC000218307281
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