Vitas-M small molecule compound
1-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-4-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STK692858
SMILES CCOc1cc(ccc1OC)C1SCC(=O)Nc2c1c(C)nn2c1nc2c(s1)cccc2
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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 C23H22N4O3S2 MW 466.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O3S2/c1-4-30-17-11-14(9-10-16(17)29-3)21-20-13(2)26-27(22(20)25-19(28)12-31-21)23-24-15-7-5-6-8-18(15)32-23/h5-11,21H,4,12H2,1-3H3,(H,25,28)InChIKey
XCLSXPZXMJVHHX-UHFFFAOYSA-NSynonyms
1(13benzothiazol2yl)4(3ethoxy4methoxyphenyl)3methyl48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
MFCD10038881
ZINC000015085013
ZINC000015085015
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