Vitas-M small molecule compound
2-[9-(4-butoxyphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]-N-methyl-N-(3-methylphenyl)acetamide
Catalog ID
STL128887
SMILES CCCCOc1ccc(cc1)c1nn2c(c1)c1nn(c(=O)n1cc2)CC(=O)N(c1cccc(c1)C)C
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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 C27H28N6O3 MW 484.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N6O3/c1-4-5-15-36-22-11-9-20(10-12-22)23-17-24-26-29-33(27(35)31(26)13-14-32(24)28-23)18-25(34)30(3)21-8-6-7-19(2)16-21/h6-14,16-17H,4-5,15,18H2,1-3H3InChIKey
XXPNEHNTTKDVRY-UHFFFAOYSA-NSynonyms
2(9(4butoxyphenyl)3oxopyrazolo(15a)(124)triazolo(34c)pyrazin2(3H)yl)NmethylN(3methylphenyl)acetamide
CCCCOC1=CC=C(C=C1)C2=NN3C=CN4C(=NN(C4=O)CC(=O)N(C)C5=CC=CC(=C5)C)C3=C2
InChI=1SC27H28N6O3c14515362211920(101222)231724262933(27(35)31(26)131432(24)2823)1825(34)30(3)2186719(2)1621h6141617H451518H213H3
MFCD20742721
ZINC000067290760
ZINC67290760
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