Vitas-M small molecule compound

ethyl {[5-({[3-(azepan-1-ylsulfonyl)phenyl]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate

Catalog ID
STK807651
SMILES CCOC(=O)CSc1nnc(s1)NC(=O)c1cccc(c1)S(=O)(=O)N1CCCCCC1

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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 C19H24N4O5S3 MW 484.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24N4O5S3/c1-2-28-16(24)13-29-19-22-21-18(30-19)20-17(25)14-8-7-9-15(12-14)31(26,27)23-10-5-3-4-6-11-23/h7-9,12H,2-6,10-11,13H2,1H3,(H,20,21,25)
InChIKey
DZTQRECOABTEEL-UHFFFAOYSA-N
Synonyms

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3
ethyl((5(((3(azepan1ylsulfonyl)phenyl)carbonyl)amino)134thiadiazol2yl)sulfanyl)acetate
ETHYL((5((3(1AZEPANYLSULFONYL)BENZOYL)AMINO)134THIADIAZOL2YL)THIO)ACETATE
ETHYL2((5((3(AZEPAN1YLSULFONYL)BENZOYL)AMINO)134THIADIAZOL2YL)SULFANYL)ACETATE
ETHYL2(5((3(AZAPERHYDROEPINYLSULFONYL)PHENYL)CARBONYLAMINO)134THIADIAZOL2YLTHIO)ACETATE
InChI=1SC19H24N4O5S3c122816(24)132919222118(3019)2017(25)1487915(1214)31(2627)231053461123h7912H26101113H21H3(H202125)
MFCD05719008
ZINC000008828757
ZINC08828757
ZINC8828757

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Available files

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