Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STK692810
SMILES COc1ccc2c(c1)sc(n2)n1nc(c2c1NC(=O)CSC2c1ccc2c(c1)OCO2)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 C22H18N4O4S2 MW 466.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O4S2/c1-11-19-20(12-3-6-15-16(7-12)30-10-29-15)31-9-18(27)24-21(19)26(25-11)22-23-14-5-4-13(28-2)8-17(14)32-22/h3-8,20H,9-10H2,1-2H3,(H,24,27)InChIKey
LUELBQYNMNYNEP-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)1(6methoxy13benzothiazol2yl)3methyl48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
MFCD10038827
ZINC000015084871
ZINC000015084872
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