Vitas-M small molecule compound

N-(2,1,3-benzothiadiazol-5-yl)-2-[4-(2-chloro-4-fluorobenzyl)piperazin-1-yl]acetamide

Catalog ID
STK483852
SMILES O=C(Nc1ccc2c(c1)nsn2)CN1CCN(CC1)Cc1ccc(cc1Cl)F

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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 C19H19ClFN5OS MW 419.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClFN5OS/c20-16-9-14(21)2-1-13(16)11-25-5-7-26(8-6-25)12-19(27)22-15-3-4-17-18(10-15)24-28-23-17/h1-4,9-10H,5-8,11-12H2,(H,22,27)
InChIKey
TTWOOFZTTLGJLL-UHFFFAOYSA-N
Synonyms

C1CN(CCN1CC2=C(C=C(C=C2)F)Cl)CC(=O)NC3=CC4=NSN=C4C=C3
InChI=1SC19H19ClFN5OSc2016914(21)2113(16)11255726(8625)1219(27)2215341718(1015)24282317h14910H581112H2(H2227)
MFCD08593981
N(213benzothiadiazol5yl)2(4((2chloro4fluorophenyl)methyl)piperazin1yl)acetamide
N(213benzothiadiazol5yl)2(4(2chloro4fluorobenzyl)piperazin1yl)acetamide
NBENZO(C)125THIADIAZOL5YL2(4((2CHLORO4FLUOROPHENYL)METHYL)PIPERAZINYL)ACETAMIDE
ZINC000022752307
ZINC22752307

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Available files

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