Vitas-M small molecule compound
7-hydroxy-4-(4-methoxyphenyl)-1-(tetrahydro-2H-thiopyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL408691
SMILES COc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCSCC1)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 C18H21N3O3S2 MW 391.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O3S2/c1-24-13-4-2-11(3-5-13)16-15-17(19-14(22)10-26-16)21(20-18(15)23)12-6-8-25-9-7-12/h2-5,12,16H,6-10H2,1H3,(H,19,22)(H,20,23)InChIKey
HIXHFGVIBMGDKS-UHFFFAOYSA-NSynonyms
1574306-76-51574306765
4(4methoxyphenyl)1(thian4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4(4methoxyphenyl)1(tetrahydro2Hthiopyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
COC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCSCC4
COc1ccc(cc1)C1SCC(=Nc2c1c(=O)(nH)n2C1CCSCC1)O
InChI=1SC18H21N3O3S2c124134211(3513)161517(1914(22)102616)21(2018(15)23)1268259712h251216H610H21H3(H1922)(H2023)
MFCD30705347
ZINC000096117983
ZINC000096117984
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