Vitas-M small molecule compound
methyl 2-({[1-(5-chloro-2-methylphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetyl}amino)benzoate
Catalog ID
STL074377
SMILES COC(=O)c1ccccc1NC(=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 C22H18ClN5O4 MW 451.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN5O4/c1-13-7-8-14(23)9-18(13)28-20-16(10-25-28)21(30)27(12-24-20)11-19(29)26-17-6-4-3-5-15(17)22(31)32-2/h3-10,12H,11H2,1-2H3,(H,26,29)InChIKey
GIAVDKGKWIUGHF-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)Cl)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4=CC=CC=C4C(=O)OC
InChI=1SC22H18ClN5O4c1137814(23)918(13)282016(102528)21(30)27(122420)1119(29)2617643515(17)22(31)322h31012H11H212H3(H2629)
methyl2(((1(5chloro2methylphenyl)4oxo14dihydro5Hpyrazolo(34d)pyrimidin5yl)acetyl)amino)benzoate
methyl2((2(1(5chloro2methylphenyl)4oxopyrazolo(34d)pyrimidin5yl)acetyl)amino)benzoate
MFCD18195771
ZINC000057486467
ZINC57486467
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