Vitas-M small molecule compound
1-(4-bromophenyl)-2-{[10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}ethanone
Catalog ID
STL226906
SMILES CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SCC(=O)c1ccc(cc1)Br)SC
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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 C22H21BrN4O2S3 MW 549.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN4O2S3/c1-4-22(2)9-14-16(10-29-22)32-19-17(14)18-25-26-21(27(18)20(24-19)30-3)31-11-15(28)12-5-7-13(23)8-6-12/h5-8H,4,9-11H2,1-3H3InChIKey
SQHPEORYLBKXOJ-UHFFFAOYSA-NSynonyms
369399-66-61(4bromophenyl)2((10ethyl10methyl5(methylsulfanyl)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)ethanone
1(4bromophenyl)2((10ethyl10methyl5(methylthio)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)ethanone
369399666
CCC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SC)SCC(=O)C5=CC=C(C=C5)Br)C
InChI=1SC22H21BrN4O2S3c1422(2)91416(102922)321917(14)18252621(27(18)20(2419)303)311115(28)125713(23)8612h58H4911H213H3
MFCD03010695
ZINC000002316151
ZINC000002316152
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