Vitas-M small molecule compound
methyl 4-{[({3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl}carbonyl)amino]methyl}benzoate
Catalog ID
STK784326
SMILES COC(=O)c1ccc(cc1)CNC(=O)c1onc(n1)Cn1nc(c(c1C)Br)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 C18H18BrN5O4 MW 448.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrN5O4/c1-10-15(19)11(2)24(22-10)9-14-21-17(28-23-14)16(25)20-8-12-4-6-13(7-5-12)18(26)27-3/h4-7H,8-9H2,1-3H3,(H,20,25)InChIKey
LNGMNKRHRPHQHV-UHFFFAOYSA-NSynonyms
CC1=C(C(=NN1CC2=NOC(=N2)C(=O)NCC3=CC=C(C=C3)C(=O)OC)C)Br
InChI=1SC18H18BrN5O4c11015(19)11(2)24(2210)9142117(282314)16(25)208124613(7512)18(26)273h47H89H213H3(H2025)
methyl4((((3((4bromo35dimethyl1Hpyrazol1yl)methyl)124oxadiazol5yl)carbonyl)amino)methyl)benzoate
METHYL4(((3((4BROMO35DIMETHYLPYRAZOL1YL)METHYL)124OXADIAZOLE5CARBONYL)AMINO)METHYL)BENZOATE
MFCD07021877
ZINC000008591107
ZINC08591107
ZINC8591107
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