Vitas-M small molecule compound
2-[(2,3-dimethylphenoxy)methyl]-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK058597
SMILES Cc1c(cccc1C)OCc1nc2n(n1)cnc1c2c2CCCCCc2s1
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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/c1-13-7-6-9-16(14(13)2)26-11-18-23-20-19-15-8-4-3-5-10-17(15)27-21(19)22-12-25(20)24-18/h6-7,9,12H,3-5,8,10-11H2,1-2H3InChIKey
QFNJISORJGOOHQ-UHFFFAOYSA-NSynonyms
627053-06-92((23dimethylphenoxy)methyl)9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidine
627053069
CC1=C(C(=CC=C1)OCC2=NN3C=NC4=C(C3=N2)C5=C(S4)CCCCC5)C
Cc1c(cccc1C)OCc1nc2n(n1)cnc1c2c2CCCCCc2s1
InChI=1SC21H22N4OSc11376916(14(13)2)2611182320191584351017(15)2721(19)221225(20)2418h67912H3581011H212H3
MFCD03689185
STK058597
ZINC000001131991
ZINC01131991
ZINC1131991
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