Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-(propan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL422371
SMILES CC(C1SCC(=Nc2c1c(=O)[nH]n2C1CCOC(C1)(C)C)O)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 C16H25N3O3S MW 339.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H25N3O3S/c1-9(2)13-12-14(17-11(20)8-23-13)19(18-15(12)21)10-5-6-22-16(3,4)7-10/h9-10,13H,5-8H2,1-4H3,(H,17,20)(H,18,21)InChIKey
FYVYUIDNXAOPDC-UHFFFAOYSA-NSynonyms
1630901-14-21(22dimethyloxan4yl)4propan2yl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(propan2yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1630901142
CC(C)C1C2=C(NC(=O)CS1)N(NC2=O)C3CCOC(C3)(C)C
CC(C1SCC(=Nc2c1c(=O)(nH)n2C1CCOC(C1)(C)C)O)C
InChI=1SC16H25N3O3Sc19(2)131214(1711(20)82313)19(1815(12)21)10562216(34)710h91013H58H214H3(H1720)(H1821)
MFCD30708109
ZINC000218281685
ZINC000218281857
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