Vitas-M small molecule compound

3-butoxy-N-{5-[(2-fluorobenzyl)sulfonyl]-1,3,4-thiadiazol-2-yl}benzamide

Catalog ID
STK518481
SMILES CCCCOc1cccc(c1)C(=O)Nc1nnc(s1)S(=O)(=O)Cc1ccccc1F

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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 C20H20FN3O4S2 MW 449.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FN3O4S2/c1-2-3-11-28-16-9-6-8-14(12-16)18(25)22-19-23-24-20(29-19)30(26,27)13-15-7-4-5-10-17(15)21/h4-10,12H,2-3,11,13H2,1H3,(H,22,23,25)
InChIKey
NBAPYHBAWMGRHE-UHFFFAOYSA-N
Synonyms
905766-68-9
3butoxyN(5((2fluorobenzyl)sulfonyl)134thiadiazol2yl)benzamide
3butoxyN(5((2fluorophenyl)methylsulfonyl)134thiadiazol2yl)benzamide
905766689
CCCCOC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)CC3=CC=CC=C3F
InChI=1SC20H20FN3O4S2c12311281696814(1216)18(25)2219232420(2919)30(2627)13157451017(15)21h41012H231113H21H3(H222325)
MFCD12918151
ZINC000027748952
ZINC27748952

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Available files

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