Vitas-M small molecule compound
N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxybenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Catalog ID
STK879337
SMILES COc1cccc(c1)Cn1nnc2c1ncn(c2=O)CC(=O)Nc1ccc(c(c1)Cl)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 C21H19ClN6O4 MW 454.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN6O4/c1-31-15-5-3-4-13(8-15)10-28-20-19(25-26-28)21(30)27(12-23-20)11-18(29)24-14-6-7-17(32-2)16(22)9-14/h3-9,12H,10-11H2,1-2H3,(H,24,29)InChIKey
NXHQCAPOASXXMZ-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC(=CC=C4)OC)Cl
InChI=1SC21H19ClN6O4c1311553413(815)10282019(252628)21(30)27(122320)1118(29)24146717(322)16(22)914h3912H1011H212H3(H2429)
MFCD18170684
N(3chloro4methoxyphenyl)2(3((3methoxyphenyl)methyl)7oxotriazolo(45d)pyrimidin6yl)acetamide
N(3chloro4methoxyphenyl)2(3(3methoxybenzyl)7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)acetamide
ZINC000040478129
ZINC40478129
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