Vitas-M small molecule compound
methyl 4-({[3-(3-methoxybenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetyl}amino)benzoate
Catalog ID
STK879366
SMILES COc1cccc(c1)Cn1nnc2c1ncn(c2=O)CC(=O)Nc1ccc(cc1)C(=O)OC
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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 C22H20N6O5 MW 448.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N6O5/c1-32-17-5-3-4-14(10-17)11-28-20-19(25-26-28)21(30)27(13-23-20)12-18(29)24-16-8-6-15(7-9-16)22(31)33-2/h3-10,13H,11-12H2,1-2H3,(H,24,29)InChIKey
KKARNSZJRHHPRR-UHFFFAOYSA-NSynonyms
COC1=CC=CC(=C1)CN2C3=C(C(=O)N(C=N3)CC(=O)NC4=CC=C(C=C4)C(=O)OC)N=N2
InChI=1SC22H20N6O5c1321753414(1017)11282019(252628)21(30)27(132320)1218(29)24168615(7916)22(31)332h31013H1112H212H3(H2429)
methyl4(((3(3methoxybenzyl)7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)acetyl)amino)benzoate
methyl4((2(3((3methoxyphenyl)methyl)7oxotriazolo(45d)pyrimidin6yl)acetyl)amino)benzoate
MFCD18170713
ZINC000040478159
ZINC40478159
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