Vitas-M small molecule compound
methyl N-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxopyridazin-1(6H)-yl]acetyl}phenylalaninate
Catalog ID
STL154995
SMILES COC(=O)C(Cc1ccccc1)NC(=O)Cn1nc(ccc1=O)n1nc(cc1C)C
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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 C21H23N5O4 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O4/c1-14-11-15(2)26(23-14)18-9-10-20(28)25(24-18)13-19(27)22-17(21(29)30-3)12-16-7-5-4-6-8-16/h4-11,17H,12-13H2,1-3H3,(H,22,27)InChIKey
GYABNWJLRYJBMO-UHFFFAOYSA-NSynonyms
(S)methyl2(2(3(35dimethyl1Hpyrazol1yl)6oxopyridazin1(6H)yl)acetamido)3phenylpropanoate
CC1=CC(=NN1C2=NN(C(=O)C=C2)CC(=O)NC(CC3=CC=CC=C3)C(=O)OC)C
COC(=O)(C@H)(Cc1ccccc1)NC(=O)Cn1nc(ccc1=O)n1nc(cc1C)C
InChI=1SC21H23N5O4c1141115(2)26(2314)1891020(28)25(2418)1319(27)2217(21(29)303)12167546816h41117H1213H213H3(H2227)
methyl2((2(3(35dimethylpyrazol1yl)6oxopyridazin1yl)acetyl)amino)3phenylpropanoate
methylN((3(35dimethyl1Hpyrazol1yl)6oxopyridazin1(6H)yl)acetyl)phenylalaninate
MFCD20757157
ZINC000061719778
ZINC000071328924
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