Vitas-M small molecule compound
methyl 4-chloro-3-[(5-{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamoyl}-1,2,4-oxadiazol-3-yl)methyl]benzoate
Catalog ID
STL153667
SMILES COC(=O)c1ccc(c(c1)Cc1noc(n1)C(=O)NCc1c(C)nn(c1C)CC)Cl
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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 C20H22ClN5O4 MW 431.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN5O4/c1-5-26-12(3)15(11(2)24-26)10-22-18(27)19-23-17(25-30-19)9-14-8-13(20(28)29-4)6-7-16(14)21/h6-8H,5,9-10H2,1-4H3,(H,22,27)InChIKey
VRLHMRHDWCZPMI-UHFFFAOYSA-NSynonyms
1246058-58-11246058581
CCN1C(=C(C(=N1)C)CNC(=O)C2=NC(=NO2)CC3=C(C=CC(=C3)C(=O)OC)Cl)C
InChI=1SC20H22ClN5O4c152612(3)15(11(2)2426)102218(27)192317(253019)914813(20(28)294)6716(14)21h68H5910H214H3(H2227)
methyl4chloro3((5(((1ethyl35dimethyl1Hpyrazol4yl)methyl)carbamoyl)124oxadiazol3yl)methyl)benzoate
methyl4chloro3((5((1ethyl35dimethylpyrazol4yl)methylcarbamoyl)124oxadiazol3yl)methyl)benzoate
MFCD18068391
ZINC000049548170
ZINC49548170
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