Vitas-M small molecule compound
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STK692809
SMILES COc1ccc2c(c1)sc(n2)n1nc(c2c1NC(=O)CSC2c1ccccc1)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 C21H18N4O2S2 MW 422.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O2S2/c1-12-18-19(13-6-4-3-5-7-13)28-11-17(26)23-20(18)25(24-12)21-22-15-9-8-14(27-2)10-16(15)29-21/h3-10,19H,11H2,1-2H3,(H,23,26)InChIKey
YHUBHIDBPRCPAX-UHFFFAOYSA-NSynonyms
1(6methoxy13benzothiazol2yl)3methyl4phenyl48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
MFCD10038826
ZINC000015084867
ZINC000015084869
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