Vitas-M small molecule compound
2-[(3-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-bromobenzoate
Catalog ID
STL013490
SMILES O=C(Nc1[nH]nc(c1)C)COC(=O)c1ccc(cc1)Br
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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 C13H12BrN3O3 MW 338.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12BrN3O3/c1-8-6-11(17-16-8)15-12(18)7-20-13(19)9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H2,15,16,17,18)InChIKey
WNJLKFDXWZUCAD-UHFFFAOYSA-NSynonyms
(2((5methyl1Hpyrazol3yl)amino)2oxoethyl)4bromobenzoate
2((3methyl1Hpyrazol5yl)amino)2oxoethyl4bromobenzoate
CC1=CC(=NN1)NC(=O)COC(=O)C2=CC=C(C=C2)Br
InChI=1SC13H12BrN3O3c18611(17168)1512(18)72013(19)92410(14)539h26H7H21H3(H215161718)
MFCD18186148
O=C(Nc1(nH)nc(c1)C)COC(=O)c1ccc(cc1)Br
ZINC000051356417
ZINC51356417
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