Vitas-M small molecule compound
4-{4-[(2-fluorobenzyl)oxy]phenyl}-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
STK692859
SMILES COc1ccc2c(c1)sc(n2)n1nc(c2c1NC(=O)CSC2c1ccc(cc1)OCc1ccccc1F)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 C28H23FN4O3S2 MW 546.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23FN4O3S2/c1-16-25-26(17-7-9-19(10-8-17)36-14-18-5-3-4-6-21(18)29)37-15-24(34)31-27(25)33(32-16)28-30-22-12-11-20(35-2)13-23(22)38-28/h3-13,26H,14-15H2,1-2H3,(H,31,34)InChIKey
WZGOMMFCOKVTID-UHFFFAOYSA-NSynonyms
4(4((2fluorobenzyl)oxy)phenyl)1(6methoxy13benzothiazol2yl)3methyl48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
MFCD10038882
ZINC000100238437
ZINC000100238439
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