Vitas-M small molecule compound
1-(1,3-benzothiazol-2-yl)-4-{4-[(2-fluorobenzyl)oxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STK692835
SMILES O=C1CSC(c2c(N1)n(nc2C)c1nc2c(s1)cccc2)c1ccc(cc1)OCc1ccccc1F
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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 C27H21FN4O2S2 MW 516.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21FN4O2S2/c1-16-24-25(17-10-12-19(13-11-17)34-14-18-6-2-3-7-20(18)28)35-15-23(33)30-26(24)32(31-16)27-29-21-8-4-5-9-22(21)36-27/h2-13,25H,14-15H2,1H3,(H,30,33)InChIKey
WTSRIZFSMFMXIV-UHFFFAOYSA-NSynonyms
1(13benzothiazol2yl)4(4((2fluorobenzyl)oxy)phenyl)3methyl48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
MFCD10038852
ZINC000015084955
ZINC000015084956
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