Vitas-M small molecule compound
2-[(3-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 5-chloro-2-fluorobenzoate
Catalog ID
STL014450
SMILES O=C(Nc1[nH]nc(c1)C)COC(=O)c1cc(Cl)ccc1F
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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 C13H11ClFN3O3 MW 311.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11ClFN3O3/c1-7-4-11(18-17-7)16-12(19)6-21-13(20)9-5-8(14)2-3-10(9)15/h2-5H,6H2,1H3,(H2,16,17,18,19)InChIKey
KXKCZLMTMDUZFA-UHFFFAOYSA-NSynonyms
(2((5methyl1Hpyrazol3yl)amino)2oxoethyl)5chloro2fluorobenzoate
2((3methyl1Hpyrazol5yl)amino)2oxoethyl5chloro2fluorobenzoate
CC1=CC(=NN1)NC(=O)COC(=O)C2=C(C=CC(=C2)Cl)F
InChI=1SC13H11ClFN3O3c17411(18177)1612(19)62113(20)958(14)2310(9)15h25H6H21H3(H216171819)
MFCD18186515
O=C(Nc1(nH)nc(c1)C)COC(=O)c1cc(Cl)ccc1F
ZINC000051357257
ZINC51357257
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