Vitas-M small molecule compound
4-(4-bromophenyl)-7-hydroxy-1-(pentan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STK846586
SMILES CCCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(cc1)Br)C
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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 C17H20BrN3O2S MW 410.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20BrN3O2S/c1-3-4-10(2)21-16-14(17(23)20-21)15(24-9-13(22)19-16)11-5-7-12(18)8-6-11/h5-8,10,15H,3-4,9H2,1-2H3,(H,19,22)(H,20,23)InChIKey
LITJDAMZUQFAPD-UHFFFAOYSA-NSynonyms
577984-63-5(4S)4(4BROMOPHENYL)1((2R)PENTAN2YL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
(4S)4(4BROMOPHENYL)1((2S)PENTAN2YL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
4(4BROMOPHENYL)1PENTAN2YL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
4(4bromophenyl)7hydroxy1(pentan2yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
577984635
CCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)Br)C(=O)N1
CCCC(n1(nH)c(=O)c2c1N=C(O)CSC2c1ccc(cc1)Br)C
InChI=1SC17H20BrN3O2Sc13410(2)211614(17(23)2021)15(24913(22)1916)115712(18)8611h581015H349H212H3(H1922)(H2023)
MFCD04075097
ZINC000005509171
ZINC000018187829
Check stock
See real-time availability and sample size for STK846586 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.