Vitas-M small molecule compound
methyl 2-({[3-(4-chlorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetyl}amino)benzoate
Catalog ID
STK900964
SMILES COC(=O)c1ccccc1NC(=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 C21H17ClN6O4 MW 452.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN6O4/c1-32-21(31)15-4-2-3-5-16(15)24-17(29)11-27-12-23-19-18(20(27)30)25-26-28(19)10-13-6-8-14(22)9-7-13/h2-9,12H,10-11H2,1H3,(H,24,29)InChIKey
VZWBPLURUUFPMO-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC=C(C=C4)Cl
InChI=1SC21H17ClN6O4c13221(31)15423516(15)2417(29)112712231918(20(27)30)252628(19)10136814(22)9713h2912H1011H21H3(H2429)
methyl2(((3(4chlorobenzyl)7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)acetyl)amino)benzoate
methyl2((2(3((4chlorophenyl)methyl)7oxotriazolo(45d)pyrimidin6yl)acetyl)amino)benzoate
MFCD18173759
ZINC000044837081
ZINC44837081
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