Vitas-M small molecule compound
3-{[4-(methoxycarbonyl)-5-methyl-1H-pyrazol-3-yl]carbamoyl}-2,2-dimethylcyclopropanecarboxylic acid
Catalog ID
STL243795
SMILES COC(=O)c1c(C)[nH]nc1NC(=O)C1C(C1(C)C)C(=O)O
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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 C13H17N3O5 MW 295.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3O5/c1-5-6(12(20)21-4)9(16-15-5)14-10(17)7-8(11(18)19)13(7,2)3/h7-8H,1-4H3,(H,18,19)(H2,14,15,16,17)InChIKey
XHKRSHHXIGAQOI-UHFFFAOYSA-NSynonyms
1338077-64-71338077647
3((4(methoxycarbonyl)3methyl1Hpyrazol5yl)carbamoyl)22dimethylcyclopropanecarboxylicacid
3((4(methoxycarbonyl)5methyl1Hpyrazol3yl)carbamoyl)22dimethylcyclopropanecarboxylicacid
3((4methoxycarbonyl5methyl1Hpyrazol3yl)carbamoyl)22dimethylcyclopropane1carboxylicacid
CC1=C(C(=NN1)NC(=O)C2C(C2(C)C)C(=O)O)C(=O)OC
COC(=O)c1c((nH)nc1C)NC(=O)C1C(C1(C)C)C(=O)O
COC(=O)c1c(C)(nH)nc1NC(=O)C1C(C1(C)C)C(=O)O
InChI=1SC13H17N3O5c156(12(20)214)9(16155)1410(17)78(11(18)19)13(72)3h78H14H3(H1819)(H214151617)
MFCD24859751
ZINC000071284023
ZINC000071284026
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