Vitas-M small molecule compound
9-(4-butoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)benzyl]pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3(2H)-one
Catalog ID
STL126115
SMILES CCCCOc1ccc(cc1)c1nn2c(c1)c1nn(c(=O)n1cc2)Cc1ccc(cc1)N1CCCC1=O
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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 C28H28N6O3 MW 496.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N6O3/c1-2-3-17-37-23-12-8-21(9-13-23)24-18-25-27-30-34(28(36)32(27)15-16-33(25)29-24)19-20-6-10-22(11-7-20)31-14-4-5-26(31)35/h6-13,15-16,18H,2-5,14,17,19H2,1H3InChIKey
HZJRFSPIKILHMV-UHFFFAOYSA-NSynonyms
9(4butoxyphenyl)2(4(2oxopyrrolidin1yl)benzyl)pyrazolo(15a)(124)triazolo(34c)pyrazin3(2H)one
CCCCOC1=CC=C(C=C1)C2=NN3C=CN4C(=NN(C4=O)CC5=CC=C(C=C5)N6CCCC6=O)C3=C2
InChI=1SC28H28N6O3c12317372312821(91323)241825273034(28(36)32(27)151633(25)2924)192061022(11720)31144526(31)35h613151618H25141719H21H3
MFCD20738546
ZINC000067260513
ZINC67260513
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