Vitas-M small molecule compound
2-[3-(4-chlorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(3,4-dimethoxyphenyl)acetamide
Catalog ID
STK879174
SMILES COc1cc(ccc1OC)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 C21H19ClN6O4 MW 454.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN6O4/c1-31-16-8-7-15(9-17(16)32-2)24-18(29)11-27-12-23-20-19(21(27)30)25-26-28(20)10-13-3-5-14(22)6-4-13/h3-9,12H,10-11H2,1-2H3,(H,24,29)InChIKey
YXULMUIMRKVQQH-UHFFFAOYSA-NSynonyms
2(3((4chlorophenyl)methyl)7oxotriazolo(45d)pyrimidin6yl)N(34dimethoxyphenyl)acetamide
2(3(4chlorobenzyl)7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)N(34dimethoxyphenyl)acetamide
COC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC=C(C=C4)Cl)OC
InChI=1SC21H19ClN6O4c131168715(917(16)322)2418(29)112712232019(21(27)30)252628(20)10133514(22)6413h3912H1011H212H3(H2429)
MFCD05902510
ZINC000009278131
ZINC09278131
ZINC9278131
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