Vitas-M small molecule compound
2-(9-tert-butyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-1-ium-2-yl)phenolate
Catalog ID
STL051927
SMILES [O-]c1ccccc1c1nn2c([nH+]1)c1c(nc2)sc2c1CCC(C2)C(C)(C)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 C21H22N4OS MW 378.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4OS/c1-21(2,3)12-8-9-14-16(10-12)27-20-17(14)19-23-18(24-25(19)11-22-20)13-6-4-5-7-15(13)26/h4-7,11-12,26H,8-10H2,1-3H3InChIKey
GNTXSKDHPVCCEV-UHFFFAOYSA-NSynonyms
677305-03-2(O)c1ccccc1c1nn2c((nH+)1)c1c(nc2)sc2c1CCC(C2)C(C)(C)C
2(9tertbutyl891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidin1ium2yl)phenolate
677305032
MFCD04132732
ZINC000005533724
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