Vitas-M small molecule compound
2-[5-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(2,3-dimethoxybenzyl)acetamide
Catalog ID
STL079961
SMILES COc1c(cccc1OC)CNC(=O)Cn1nc2n(c1=O)c(nc(c2)C)N1CCc2c(C1)cccc2
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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 C26H28N6O4 MW 488.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N6O4/c1-17-13-22-29-31(16-23(33)27-14-19-9-6-10-21(35-2)24(19)36-3)26(34)32(22)25(28-17)30-12-11-18-7-4-5-8-20(18)15-30/h4-10,13H,11-12,14-16H2,1-3H3,(H,27,33)InChIKey
PHDSDYOQEATTLE-UHFFFAOYSA-NSynonyms
2(5(34dihydro1Hisoquinolin2yl)7methyl3oxo(124)triazolo(43c)pyrimidin2yl)N((23dimethoxyphenyl)methyl)acetamide
2(5(34dihydroisoquinolin2(1H)yl)7methyl3oxo(124)triazolo(43c)pyrimidin2(3H)yl)N(23dimethoxybenzyl)acetamide
CC1=CC2=NN(C(=O)N2C(=N1)N3CCC4=CC=CC=C4C3)CC(=O)NCC5=C(C(=CC=C5)OC)OC
InChI=1SC26H28N6O4c11713222931(1623(33)271419961021(352)24(19)363)26(34)32(22)25(2817)30121118745820(18)1530h41013H11121416H213H3(H2733)
MFCD18200727
ZINC000067219681
ZINC67219681
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