Vitas-M small molecule compound
3-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazine
Catalog ID
STL126207
SMILES CCCCOc1ccc(cc1)c1nn2c(c1)c1nnc(n1cc2)SCc1ccc2c(c1)OCO2
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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 C25H23N5O3S MW 473.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O3S/c1-2-3-12-31-19-7-5-18(6-8-19)20-14-21-24-26-27-25(29(24)10-11-30(21)28-20)34-15-17-4-9-22-23(13-17)33-16-32-22/h4-11,13-14H,2-3,12,15-16H2,1H3InChIKey
JTZKETJQKXXRLU-UHFFFAOYSA-NSynonyms
3((13benzodioxol5ylmethyl)sulfanyl)9(4butoxyphenyl)pyrazolo(15a)(124)triazolo(34c)pyrazine
CCCCOC1=CC=C(C=C1)C2=NN3C=CN4C(=NN=C4SCC5=CC6=C(C=C5)OCO6)C3=C2
InChI=1SC25H23N5O3Sc1231231197518(6819)20142124262725(29(24)101130(21)2820)341517492223(1317)33163222h4111314H23121516H21H3
MFCD20738638
ZINC000067260683
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