Vitas-M small molecule compound
2-[(3-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 2-chloro-4-fluorobenzoate
Catalog ID
STL014386
SMILES O=C(Nc1[nH]nc(c1)C)COC(=O)c1ccc(cc1Cl)F
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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)9-3-2-8(15)5-10(9)14/h2-5H,6H2,1H3,(H2,16,17,18,19)InChIKey
QWCFXLKAOQWAOM-UHFFFAOYSA-NSynonyms
(2((5methyl1Hpyrazol3yl)amino)2oxoethyl)2chloro4fluorobenzoate
2((3methyl1Hpyrazol5yl)amino)2oxoethyl2chloro4fluorobenzoate
CC1=CC(=NN1)NC(=O)COC(=O)C2=C(C=C(C=C2)F)Cl
InChI=1SC13H11ClFN3O3c17411(18177)1612(19)62113(20)9328(15)510(9)14h25H6H21H3(H216171819)
MFCD18186500
O=C(Nc1(nH)nc(c1)C)COC(=O)c1ccc(cc1Cl)F
ZINC000051357222
ZINC51357222
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