Vitas-M small molecule compound

methyl 2-({[3-(3-methoxybenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetyl}amino)benzoate

Catalog ID
STK879333
SMILES COc1cccc(c1)Cn1nnc2c1ncn(c2=O)CC(=O)Nc1ccccc1C(=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/c1-32-15-7-5-6-14(10-15)11-28-20-19(25-26-28)21(30)27(13-23-20)12-18(29)24-17-9-4-3-8-16(17)22(31)33-2/h3-10,13H,11-12H2,1-2H3,(H,24,29)
InChIKey
IOXIXSZOYCPXMS-UHFFFAOYSA-N
Synonyms

COC1=CC=CC(=C1)CN2C3=C(C(=O)N(C=N3)CC(=O)NC4=CC=CC=C4C(=O)OC)N=N2
InChI=1SC22H20N6O5c1321575614(1015)11282019(252628)21(30)27(132320)1218(29)2417943816(17)22(31)332h31013H1112H212H3(H2429)
methyl2(((3(3methoxybenzyl)7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)acetyl)amino)benzoate
methyl2((2(3((3methoxyphenyl)methyl)7oxotriazolo(45d)pyrimidin6yl)acetyl)amino)benzoate
MFCD18170680
ZINC000040478125
ZINC40478125

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Available files

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