Vitas-M small molecule compound
9-(4-butoxyphenyl)-2-(4-tert-butylbenzyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3(2H)-one
Catalog ID
STL126110
SMILES CCCCOc1ccc(cc1)c1nn2c(c1)c1nn(c(=O)n1cc2)Cc1ccc(cc1)C(C)(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 C28H31N5O2 MW 469.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O2/c1-5-6-17-35-23-13-9-21(10-14-23)24-18-25-26-30-33(27(34)31(26)15-16-32(25)29-24)19-20-7-11-22(12-8-20)28(2,3)4/h7-16,18H,5-6,17,19H2,1-4H3InChIKey
IZHVKSZEGWJTMG-UHFFFAOYSA-NSynonyms
9(4butoxyphenyl)2(4tertbutylbenzyl)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)(C)C)C3=C2
InChI=1SC28H31N5O2c15617352313921(101423)241825263033(27(34)31(26)151632(25)2924)192071122(12820)28(23)4h71618H561719H214H3
MFCD20738541
ZINC000067260504
ZINC67260504
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