Vitas-M small molecule compound

methyl 2-[({[5-(4-chlorobenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK294073
SMILES COC(=O)c1ccccc1NC(=O)CSc1nnc(o1)Cc1ccc(cc1)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 C19H16ClN3O4S MW 417.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClN3O4S/c1-26-18(25)14-4-2-3-5-15(14)21-16(24)11-28-19-23-22-17(27-19)10-12-6-8-13(20)9-7-12/h2-9H,10-11H2,1H3,(H,21,24)
InChIKey
KMQQCLXSEVLCIR-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(O2)CC3=CC=C(C=C3)Cl
InChI=1SC19H16ClN3O4Sc12618(25)14423515(14)2116(24)112819232217(2719)10126813(20)9712h29H1011H21H3(H2124)
methyl2((((5(4chlorobenzyl)134oxadiazol2yl)sulfanyl)acetyl)amino)benzoate
METHYL2((((5(4CHLOROBENZYL)134OXADIAZOL2YL)THIO)ACETYL)AMINO)BENZOATE
METHYL2((2((5((4CHLOROPHENYL)METHYL)134OXADIAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD06003792
ZINC000001051539
ZINC01051539
ZINC1051539

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Available files

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