Vitas-M small molecule compound
1-cyclopentyl-7-hydroxy-4-[4-(methylsulfanyl)phenyl]-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL407367
SMILES CSc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCC1)O
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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 C18H21N3O2S2 MW 375.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O2S2/c1-24-13-8-6-11(7-9-13)16-15-17(19-14(22)10-25-16)21(20-18(15)23)12-4-2-3-5-12/h6-9,12,16H,2-5,10H2,1H3,(H,19,22)(H,20,23)InChIKey
WEDIDDFRRAGNOD-UHFFFAOYSA-NSynonyms
1574484-61-91574484619
1cyclopentyl4(4methylsulfanylphenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1cyclopentyl7hydroxy4(4(methylsulfanyl)phenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CSC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCC4
CSc1ccc(cc1)C1SCC(=Nc2c1c(=O)(nH)n2C1CCCC1)O
InChI=1SC18H21N3O2S2c124138611(7913)161517(1914(22)102516)21(2018(15)23)12423512h691216H2510H21H3(H1922)(H2023)
MFCD30704706
ZINC000096116599
ZINC000096116600
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