Vitas-M small molecule compound
methyl 3-[3-hydroxy-5-(4-methoxybenzyl)-1H-pyrazol-4-yl]-3-(pyrazolo[1,5-a]pyrimidin-3-yl)propanoate
Catalog ID
STL407606
SMILES COC(=O)CC(c1cnn2c1nccc2)c1c([nH]nc1O)Cc1ccc(cc1)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 C21H21N5O4 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4/c1-29-14-6-4-13(5-7-14)10-17-19(21(28)25-24-17)15(11-18(27)30-2)16-12-23-26-9-3-8-22-20(16)26/h3-9,12,15H,10-11H2,1-2H3,(H2,24,25,28)InChIKey
KMDQRGGVHCGREC-UHFFFAOYSA-NSynonyms
1574310-53-41574310534
COC(=O)CC(c1cnn2c1nccc2)c1c((nH)nc1O)Cc1ccc(cc1)OC
COC1=CC=C(C=C1)CC2=C(C(=O)NN2)C(CC(=O)OC)C3=C4N=CC=CN4N=C3
InChI=1SC21H21N5O4c129146413(5714)101719(21(28)252417)15(1118(27)302)161223269382220(16)26h391215H1011H212H3(H2242528)
methyl3(3((4methoxyphenyl)methyl)5oxo12dihydropyrazol4yl)3pyrazolo(15a)pyrimidin3ylpropanoate
methyl3(3hydroxy5(4methoxybenzyl)1Hpyrazol4yl)3(pyrazolo(15a)pyrimidin3yl)propanoate
MFCD30704825
ZINC000096117760
ZINC000096117761
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