Vitas-M small molecule compound

ethyl (5-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}-1,3,4-thiadiazol-2-yl)acetate

Catalog ID
STK772076
SMILES CCOC(=O)Cc1nnc(s1)NC(=O)C(Sc1nc2c(s1)cccc2)CC

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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 C17H18N4O3S3 MW 422.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O3S3/c1-3-11(25-17-18-10-7-5-6-8-12(10)26-17)15(23)19-16-21-20-13(27-16)9-14(22)24-4-2/h5-8,11H,3-4,9H2,1-2H3,(H,19,21,23)
InChIKey
YDGYOLCXHCJWKB-UHFFFAOYSA-N
Synonyms

CCC(C(=O)NC1=NN=C(S1)CC(=O)OCC)SC2=NC3=CC=CC=C3S2
ethyl(5((2(13benzothiazol2ylsulfanyl)butanoyl)amino)134thiadiazol2yl)acetate
ETHYL2(5(2(13BENZOTHIAZOL2YLSULFANYL)BUTANOYLAMINO)134THIADIAZOL2YL)ACETATE
InChI=1SC17H18N4O3S3c1311(25171810756812(10)2617)15(23)1916212013(2716)914(22)2442h5811H349H212H3(H192123)
MFCD03768086
ZINC000002492105
ZINC000002492107

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Available files

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