Vitas-M small molecule compound
1-(butan-2-yl)-7-hydroxy-4-(2-propoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STK560795
SMILES CCCOc1ccccc1C1SCC(=Nc2c1c(=O)[nH]n2C(CC)C)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 C19H25N3O3S MW 375.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O3S/c1-4-10-25-14-9-7-6-8-13(14)17-16-18(20-15(23)11-26-17)22(12(3)5-2)21-19(16)24/h6-9,12,17H,4-5,10-11H2,1-3H3,(H,20,23)(H,21,24)InChIKey
DMEDOSBUNUBGRY-UHFFFAOYSA-NSynonyms
674353-50-5(4R)1((2R)BUTAN2YL)4(2PROPOXYPHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
(4R)1((2S)BUTAN2YL)4(2PROPOXYPHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
(4S)1((2R)BUTAN2YL)4(2PROPOXYPHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1(butan2yl)7hydroxy4(2propoxyphenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1BUTAN2YL4(2PROPOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
674353505
CCCOC1=CC=CC=C1C2C3=C(NC(=O)CS2)N(NC3=O)C(C)CC
CCCOc1ccccc1C1SCC(=Nc2c1c(=O)(nH)n2C(CC)C)O
InChI=1SC19H25N3O3Sc14102514976813(14)171618(2015(23)112617)22(12(3)52)2119(16)24h691217H451011H213H3(H2023)(H2124)
MFCD04075853
ZINC000006075890
ZINC000006075904
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.