Vitas-M small molecule compound
4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STK692839
SMILES COc1ccc(cc1O)C1SCC(=O)Nc2c1c(C)nn2c1nc2c(s1)cc(cc2)C
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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 C22H20N4O3S2 MW 452.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S2/c1-11-4-6-14-17(8-11)31-22(23-14)26-21-19(12(2)25-26)20(30-10-18(28)24-21)13-5-7-16(29-3)15(27)9-13/h4-9,20,27H,10H2,1-3H3,(H,24,28)InChIKey
GMANDLATLASXNN-UHFFFAOYSA-NSynonyms
4(3hydroxy4methoxyphenyl)3methyl1(6methyl13benzothiazol2yl)48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
MFCD10038856
ZINC000015084964
ZINC000015084966
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