Vitas-M small molecule compound
7-hydroxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-1-(tetrahydro-2H-thiopyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL408500
SMILES COc1cc(cc2c1OCO2)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 C19H21N3O5S2 MW 435.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O5S2/c1-25-12-6-10(7-13-16(12)27-9-26-13)17-15-18(20-14(23)8-29-17)22(21-19(15)24)11-2-4-28-5-3-11/h6-7,11,17H,2-5,8-9H2,1H3,(H,20,23)(H,21,24)InChIKey
HSJBIBKGBMJEJM-UHFFFAOYSA-NSynonyms
1574406-96-41574406964
4(7methoxy13benzodioxol5yl)1(thian4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4(7methoxy13benzodioxol5yl)1(tetrahydro2Hthiopyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
COC1=CC(=CC2=C1OCO2)C3C4=C(NC(=O)CS3)N(NC4=O)C5CCSCC5
COc1cc(cc2c1OCO2)C1SCC(=Nc2c1c(=O)(nH)n2C1CCSCC1)O
InChI=1SC19H21N3O5S2c12512610(71316(12)2792613)171518(2014(23)82917)22(2119(15)24)1124285311h671117H2589H21H3(H2023)(H2124)
MFCD30705251
ZINC000096117420
ZINC000096117421
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