Vitas-M small molecule compound
1-(1,3-benzothiazol-2-yl)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STK692834
SMILES COc1ccc(cc1O)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 C21H18N4O3S2 MW 438.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O3S2/c1-11-18-19(12-7-8-15(28-2)14(26)9-12)29-10-17(27)23-20(18)25(24-11)21-22-13-5-3-4-6-16(13)30-21/h3-9,19,26H,10H2,1-2H3,(H,23,27)InChIKey
JFUXATSNOPTCAF-UHFFFAOYSA-NSynonyms
1(13benzothiazol2yl)4(3hydroxy4methoxyphenyl)3methyl48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
MFCD10038851
ZINC000015084951
ZINC000015084953
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