Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-1-cyclohexyl-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STK770535
SMILES O=C1CSC(c2c(N1)n(nc2O)C1CCCCC1)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 C19H21N3O4S MW 387.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O4S/c23-15-9-27-17(11-6-7-13-14(8-11)26-10-25-13)16-18(20-15)22(21-19(16)24)12-4-2-1-3-5-12/h6-8,12,17H,1-5,9-10H2,(H,20,23)(H,21,24)InChIKey
IAOFZYZWNXLHJX-UHFFFAOYSA-NSynonyms
663929-26-8(4R)4(13BENZODIOXOL5YL)1CYCLOHEXYL48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
4(13benzodioxol5yl)1cyclohexyl3hydroxy48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
4(13BENZODIOXOL5YL)1CYCLOHEXYL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
4(benzo(d)(13)dioxol5yl)1cyclohexyl3hydroxy68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
663929268
C1CCC(CC1)N2C3=C(C(SCC(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N2
InChI=1SC19H21N3O4Sc231592717(11671314(811)26102513)1618(2015)22(2119(16)24)124213512h681217H15910H2(H2023)(H2124)
MFCD03663218
ZINC000005636307
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