Vitas-M small molecule compound
2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9-tert-butyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL005751
SMILES CC(C1CCc2c(C1)sc1c2c2nc(nn2cn1)CSc1nc2c(o1)cccc2)(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 C23H23N5OS2 MW 449.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5OS2/c1-23(2,3)13-8-9-14-17(10-13)31-21-19(14)20-26-18(27-28(20)12-24-21)11-30-22-25-15-6-4-5-7-16(15)29-22/h4-7,12-13H,8-11H2,1-3H3InChIKey
BGJIQGXCPLSHCN-UHFFFAOYSA-NSynonyms
862200-00-82(((9(tertbutyl)891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(15c)pyrimidin2yl)methyl)thio)benzo(d)oxazole
2((13benzoxazol2ylsulfanyl)methyl)9tertbutyl891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
862200008
CC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)CSC5=NC6=CC=CC=C6O5
InChI=1SC23H23N5OS2c123(23)13891417(1013)312119(14)202618(2728(20)122421)1130222515645716(15)2922h471213H811H213H3
MFCD05697297
ZINC000009292037
ZINC000009292039
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