Vitas-M small molecule compound
9-(4-butoxyphenyl)-2-(3,4-dimethylbenzyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3(2H)-one
Catalog ID
STL126109
SMILES CCCCOc1ccc(cc1)c1nn2c(c1)c1nn(c(=O)n1cc2)Cc1ccc(c(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 C26H27N5O2 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O2/c1-4-5-14-33-22-10-8-21(9-11-22)23-16-24-25-28-31(17-20-7-6-18(2)19(3)15-20)26(32)29(25)12-13-30(24)27-23/h6-13,15-16H,4-5,14,17H2,1-3H3InChIKey
MKBHQQFEFLBNBB-UHFFFAOYSA-NSynonyms
9(4butoxyphenyl)2(34dimethylbenzyl)pyrazolo(15a)(124)triazolo(34c)pyrazin3(2H)one
CCCCOC1=CC=C(C=C1)C2=NN3C=CN4C(=NN(C4=O)CC5=CC(=C(C=C5)C)C)C3=C2
InChI=1SC26H27N5O2c14514332210821(91122)231624252831(17207618(2)19(3)1520)26(32)29(25)121330(24)2723h6131516H451417H213H3
MFCD20738540
ZINC000067260502
ZINC67260502
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