Vitas-M small molecule compound
2-[1-(5-chloro-2-methylphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(4-methoxyphenyl)acetamide
Catalog ID
STL031279
SMILES COc1ccc(cc1)NC(=O)Cn1cnc2c(c1=O)cnn2c1cc(Cl)ccc1C
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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 C21H18ClN5O3 MW 423.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN5O3/c1-13-3-4-14(22)9-18(13)27-20-17(10-24-27)21(29)26(12-23-20)11-19(28)25-15-5-7-16(30-2)8-6-15/h3-10,12H,11H2,1-2H3,(H,25,28)InChIKey
JOWJWYLQVSGVIY-UHFFFAOYSA-NSynonyms
2(1(5chloro2methylphenyl)4oxo14dihydro5Hpyrazolo(34d)pyrimidin5yl)N(4methoxyphenyl)acetamide
2(1(5chloro2methylphenyl)4oxopyrazolo(34d)pyrimidin5yl)N(4methoxyphenyl)acetamide
CC1=C(C=C(C=C1)Cl)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4=CC=C(C=C4)OC
InChI=1SC21H18ClN5O3c1133414(22)918(13)272017(102427)21(29)26(122320)1119(28)25155716(302)8615h31012H11H212H3(H2528)
MFCD18191343
ZINC000057428292
ZINC57428292
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