Vitas-M small molecule compound
2-[(12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]-1-phenylethanone
Catalog ID
STK583745
SMILES CCC1(C)OCc2c(C1)c1c(s2)n2c(SCC(=O)c3ccccc3)nnc2n2c1ncn2
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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 C22H20N6O2S2 MW 464.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N6O2S2/c1-3-22(2)9-14-16(10-30-22)32-19-17(14)18-23-12-24-28(18)20-25-26-21(27(19)20)31-11-15(29)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3InChIKey
NXJYGQTYHOSHRS-UHFFFAOYSA-NSynonyms
877790-03-92((12ethyl12methyl1213dihydro10Hpyrano(4345)thieno(32e)bis((124)triazolo)(43a15c)pyrimidin7yl)thio)1phenylethanone
2((12ethyl12methyl1213dihydro10Hpyrano(4345)thieno(32e)bis(124)triazolo(43a15c)pyrimidin7yl)sulfanyl)1phenylethanone
877790039
CCC1(CC2=C(CO1)SC3=C2C4=NC=NN4C5=NN=C(N35)SCC(=O)C6=CC=CC=C6)C
InChI=1SC22H20N6O2S2c1322(2)91416(103022)321917(14)1823122428(18)20252621(27(19)20)311115(29)137546813h4812H3911H212H3
MFCD05701996
ZINC000009345329
ZINC000009345330
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