Vitas-M small molecule compound

N-[5-(benzylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-butoxybenzamide

Catalog ID
STK518439
SMILES CCCCOc1cccc(c1)C(=O)Nc1nnc(s1)S(=O)(=O)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 C20H21N3O4S2 MW 431.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4S2/c1-2-3-12-27-17-11-7-10-16(13-17)18(24)21-19-22-23-20(28-19)29(25,26)14-15-8-5-4-6-9-15/h4-11,13H,2-3,12,14H2,1H3,(H,21,22,24)
InChIKey
UOXMKGCIPNPXRN-UHFFFAOYSA-N
Synonyms
905779-51-3
905779513
CCCCOC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)CC3=CC=CC=C3
InChI=1SC20H21N3O4S2c1231227171171016(1317)18(24)2119222320(2819)29(2526)14158546915h41113H231214H21H3(H212224)
MFCD12918109
N(5(benzylsulfonyl)134thiadiazol2yl)3butoxybenzamide
N(5benzylsulfonyl134thiadiazol2yl)3butoxybenzamide
ZINC000027748493
ZINC27748493

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Available files

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