Vitas-M small molecule compound
4-(4-hydroxyphenyl)-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
STK692812
SMILES COc1ccc2c(c1)sc(n2)n1nc(c2c1NC(=O)CSC2c1ccc(cc1)O)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 C21H18N4O3S2 MW 438.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O3S2/c1-11-18-19(12-3-5-13(26)6-4-12)29-10-17(27)23-20(18)25(24-11)21-22-15-8-7-14(28-2)9-16(15)30-21/h3-9,19,26H,10H2,1-2H3,(H,23,27)InChIKey
WGRAXYLXDOZRBO-UHFFFAOYSA-NSynonyms
4(4hydroxyphenyl)1(6methoxy13benzothiazol2yl)3methyl48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
MFCD10038829
ZINC000015084876
ZINC000015084878
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