Vitas-M small molecule compound

methyl 4-chloro-3-[(5-{[2-(dimethylamino)ethyl]carbamoyl}-1,2,4-oxadiazol-3-yl)methyl]benzoate

Catalog ID
STL152438
SMILES COC(=O)c1ccc(c(c1)Cc1noc(n1)C(=O)NCCN(C)C)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 C16H19ClN4O4 MW 366.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19ClN4O4/c1-21(2)7-6-18-14(22)15-19-13(20-25-15)9-11-8-10(16(23)24-3)4-5-12(11)17/h4-5,8H,6-7,9H2,1-3H3,(H,18,22)
InChIKey
ADADXWGEOCQICT-UHFFFAOYSA-N
Synonyms
1246051-56-8
1246051568
CN(C)CCNC(=O)C1=NC(=NO1)CC2=C(C=CC(=C2)C(=O)OC)Cl
InChI=1SC16H19ClN4O4c121(2)761814(22)151913(202515)911810(16(23)243)4512(11)17h458H679H213H3(H1822)
methyl4chloro3((5((2(dimethylamino)ethyl)carbamoyl)124oxadiazol3yl)methyl)benzoate
methyl4chloro3((5(2(dimethylamino)ethylcarbamoyl)124oxadiazol3yl)methyl)benzoate
MFCD18066955
ZINC000049546151
ZINC49546151

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.