Vitas-M small molecule compound
2-ethyl-9-(4-methoxyphenyl)-7-(3-methyl-1H-1,2,4-triazol-5-yl)pyrido[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-8(7H)-one
Catalog ID
STL389420
SMILES CCc1nn2c(n1)nc1c(c2c2ccc(cc2)OC)c(=O)n(cc1)c1[nH]nc(n1)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 C20H18N8O2 MW 402.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N8O2/c1-4-15-23-19-22-14-9-10-27(20-21-11(2)24-25-20)18(29)16(14)17(28(19)26-15)12-5-7-13(30-3)8-6-12/h5-10H,4H2,1-3H3,(H,21,24,25)InChIKey
IZEDWBJFEYSKEV-UHFFFAOYSA-NSynonyms
2ethyl9(4methoxyphenyl)7(3methyl1H124triazol5yl)pyrido(43d)(124)triazolo(15a)pyrimidin8(7H)one
CCC1=NN2C(=C3C(=NC2=N1)C=CN(C3=O)C4=NNC(=N4)C)C5=CC=C(C=C5)OC
CCc1nn2c(n1)nc1c(c2c2ccc(cc2)OC)c(=O)n(cc1)c1(nH)nc(n1)C
InChI=1SC20H18N8O2c14152319221491027(202111(2)242520)18(29)16(14)17(28(19)2615)125713(303)8612h510H4H213H3(H212425)
MFCD28122510
ZINC000095115671
ZINC95115671
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