Vitas-M small molecule compound

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

Catalog ID
STL152097
SMILES COC(=O)c1ccc(c(c1)Cc1noc(n1)C(=O)NCCCN(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 C17H21ClN4O4 MW 380.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21ClN4O4/c1-22(2)8-4-7-19-15(23)16-20-14(21-26-16)10-12-9-11(17(24)25-3)5-6-13(12)18/h5-6,9H,4,7-8,10H2,1-3H3,(H,19,23)
InChIKey
GVPXPXKUUOUIBZ-UHFFFAOYSA-N
Synonyms
1282121-86-1
1282121861
CN(C)CCCNC(=O)C1=NC(=NO1)CC2=C(C=CC(=C2)C(=O)OC)Cl
InChI=1SC17H21ClN4O4c122(2)8471915(23)162014(212616)1012911(17(24)253)5613(12)18h569H47810H213H3(H1923)
methyl4chloro3((5((3(dimethylamino)propyl)carbamoyl)124oxadiazol3yl)methyl)benzoate
methyl4chloro3((5(3(dimethylamino)propylcarbamoyl)124oxadiazol3yl)methyl)benzoate
MFCD18797061
ZINC000061718275
ZINC61718275

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Available files

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