Vitas-M small molecule compound

1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-(2-methylpropyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one

Catalog ID
STL407994
SMILES CC(CC1SCC(=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 C17H27N3O3S MW 353.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H27N3O3S/c1-10(2)7-12-14-15(18-13(21)9-24-12)20(19-16(14)22)11-5-6-23-17(3,4)8-11/h10-12H,5-9H2,1-4H3,(H,18,21)(H,19,22)
InChIKey
DTFOVAFPOGSKCI-UHFFFAOYSA-N
Synonyms
1574530-67-8
1(22dimethyloxan4yl)4(2methylpropyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(2methylpropyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1574530678
CC(C)CC1C2=C(NC(=O)CS1)N(NC2=O)C3CCOC(C3)(C)C
CC(CC1SCC(=Nc2c1c(=O)(nH)n2C1CCOC(C1)(C)C)O)C
InChI=1SC17H27N3O3Sc110(2)7121415(1813(21)92412)20(1916(14)22)11562317(34)811h1012H59H214H3(H1821)(H1922)
MFCD30705000
ZINC000096231499
ZINC000096231502

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Available files

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