Vitas-M small molecule compound

4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl benzoate

Catalog ID
STK387022
SMILES O=C(c1ccccc1)Oc1nsnc1N1CCOCC1

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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 C13H13N3O3S MW 291.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O3S/c17-13(10-4-2-1-3-5-10)19-12-11(14-20-15-12)16-6-8-18-9-7-16/h1-5H,6-9H2
InChIKey
RQOPSFJRTNGANZ-UHFFFAOYSA-N
Synonyms

(4MORPHOLIN4YL125THIADIAZOL3YL)BENZOATE
4(morpholin4yl)125thiadiazol3ylbenzoate
4MORPHOLIN4YL125THIADIAZOL3YLBENZOATE
BENZOICACID(4(4MORPHOLINYL)125THIADIAZOL3YL)ESTER
BENZOICACID(4MORPHOLINO125THIADIAZOL3YL)ESTER
C1COCCN1C2=NSN=C2OC(=O)C3=CC=CC=C3
InChI=1SC13H13N3O3Sc1713(104213510)191211(14201512)1668189716h15H69H2
MFCD02040877
ZINC000000037001
ZINC00037001
ZINC37001

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Available files

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