Vitas-M small molecule compound
3-({[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STL126208
SMILES CCCCOc1ccc(cc1)c1nn2c(c1)c1nnc(n1cc2)SCc1cccc(c1)C#N
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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 C25H22N6OS MW 454.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N6OS/c1-2-3-13-32-21-9-7-20(8-10-21)22-15-23-24-27-28-25(30(24)11-12-31(23)29-22)33-17-19-6-4-5-18(14-19)16-26/h4-12,14-15H,2-3,13,17H2,1H3InChIKey
DESUSUXNPAFZFK-UHFFFAOYSA-NSynonyms
1326834-96-11326834961
3(((9(4butoxyphenyl)pyrazolo(15a)(124)triazolo(34c)pyrazin3yl)sulfanyl)methyl)benzonitrile
CCCCOC1=CC=C(C=C1)C2=NN3C=CN4C(=NN=C4SCC5=CC=CC(=C5)C#N)C3=C2
InChI=1SC25H22N6OSc1231332219720(81021)22152324272825(30(24)111231(23)2922)33171964518(1419)1626h4121415H231317H21H3
MFCD20738639
ZINC000067260687
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