Vitas-M small molecule compound
ethyl 4-({[3-(4-chlorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetyl}amino)benzoate
Catalog ID
STK879134
SMILES CCOC(=O)c1ccc(cc1)NC(=O)Cn1cnc2c(c1=O)nnn2Cc1ccc(cc1)Cl
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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 C22H19ClN6O4 MW 466.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN6O4/c1-2-33-22(32)15-5-9-17(10-6-15)25-18(30)12-28-13-24-20-19(21(28)31)26-27-29(20)11-14-3-7-16(23)8-4-14/h3-10,13H,2,11-12H2,1H3,(H,25,30)InChIKey
QMZMSNKHFRTIOW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC=C(C=C4)Cl
ethyl4(((3(4chlorobenzyl)7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)acetyl)amino)benzoate
ethyl4((2(3((4chlorophenyl)methyl)7oxotriazolo(45d)pyrimidin6yl)acetyl)amino)benzoate
InChI=1SC22H19ClN6O4c123322(32)155917(10615)2518(30)122813242019(21(28)31)262729(20)11143716(23)8414h31013H21112H21H3(H2530)
MFCD05902520
ZINC000009278139
ZINC09278139
ZINC9278139
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