Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-3-hydroxy-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STL232206
SMILES O=C1CSC(c2c(N1)n(nc2O)C(C)C)c1ccc2c(c1)OCO2
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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 C16H17N3O4S MW 347.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O4S/c1-8(2)19-15-13(16(21)18-19)14(24-6-12(20)17-15)9-3-4-10-11(5-9)23-7-22-10/h3-5,8,14H,6-7H2,1-2H3,(H,17,20)(H,18,21)InChIKey
OQNLGDZCDKFPFW-UHFFFAOYSA-NSynonyms
692266-08-34(13BENZODIOXOL5YL)1PROPAN2YL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
4(13benzodioxol5yl)3hydroxy1(propan2yl)48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
4(benzo(d)(13)dioxol5yl)3hydroxy1isopropyl68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
692266083
CC(C)N1C2=C(C(SCC(=O)N2)C3=CC4=C(C=C3)OCO4)C(=O)N1
InChI=1SC16H17N3O4Sc18(2)191513(16(21)1819)14(24612(20)1715)9341011(59)2372210h35814H67H212H3(H1720)(H1821)
MFCD03667018
ZINC000005902436
ZINC000005902453
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