Vitas-M small molecule compound
1-cyclopentyl-7-hydroxy-4-phenyl-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL315806
SMILES OC1=Nc2n([nH]c(=O)c2C(SC1)c1ccccc1)C1CCCC1
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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 C17H19N3O2S MW 329.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O2S/c21-13-10-23-15(11-6-2-1-3-7-11)14-16(18-13)20(19-17(14)22)12-8-4-5-9-12/h1-3,6-7,12,15H,4-5,8-10H2,(H,18,21)(H,19,22)InChIKey
ZQOFWFZKXULQAF-UHFFFAOYSA-NSynonyms
797769-07-41CYCLOPENTYL4PHENYL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
1cyclopentyl7hydroxy4phenyl1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
797769074
C1CCC(C1)N2C3=C(C(SCC(=O)N3)C4=CC=CC=C4)C(=O)N2
InChI=1SC17H19N3O2Sc2113102315(116213711)1416(1813)20(1917(14)22)12845912h13671215H45810H2(H1821)(H1922)
MFCD28027473
OC1=Nc2n((nH)c(=O)c2C(SC1)c1ccccc1)C1CCCC1
ZINC000005731489
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