Vitas-M small molecule compound
3-({5-methyl-4-oxo-6-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]thieno[2,3-d]pyrimidin-3(4H)-yl}methyl)benzonitrile
Catalog ID
STL126059
SMILES N#Cc1cccc(c1)Cn1cnc2c(c1=O)c(C)c(s2)c1onc(n1)c1cccs1
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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 C21H13N5O2S2 MW 431.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13N5O2S2/c1-12-16-20(30-17(12)19-24-18(25-28-19)15-6-3-7-29-15)23-11-26(21(16)27)10-14-5-2-4-13(8-14)9-22/h2-8,11H,10H2,1H3InChIKey
SIQIYAKZSJWIBA-UHFFFAOYSA-NSynonyms
3((5methyl4oxo6(3(thiophen2yl)124oxadiazol5yl)thieno(23d)pyrimidin3(4H)yl)methyl)benzonitrile
3((5methyl4oxo6(3thiophen2yl124oxadiazol5yl)thieno(23d)pyrimidin3yl)methyl)benzonitrile
CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC(=C3)C#N)C4=NC(=NO4)C5=CC=CS5
InChI=1SC21H13N5O2S2c1121620(3017(12)192418(252819)156372915)231126(21(16)27)101452413(814)922h2811H10H21H3
MFCD20738484
ZINC000067260388
ZINC67260388
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