Vitas-M small molecule compound

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

Catalog ID
STK123995
SMILES COC(=O)c1cc(ccc1Cl)NC(=O)CSc1nnc(o1)Cc1ccccc1

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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)14-10-13(7-8-15(14)20)21-16(24)11-28-19-23-22-17(27-19)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,21,24)
InChIKey
XKSFDXLGPQMMEF-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3)Cl
InChI=1SC19H16ClN3O4Sc12618(25)141013(7815(14)20)2116(24)112819232217(2719)9125324612h2810H911H21H3(H2124)
METHYL5((((5BENZYL134OXADIAZOL2YL)SULFANYL)ACETYL)AMINO)2CHLOROBENZOATE
METHYL5((2((5BENZYL134OXADIAZOL2YL)SULFANYL)ACETYL)AMINO)2CHLOROBENZOATE
MFCD04090898
ZINC000000687357
ZINC00687357
ZINC687357

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Available files

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