Vitas-M small molecule compound

ethyl 5-(azepan-1-yl)-1,2,3-thiadiazole-4-carboxylate

Catalog ID
STL439168
SMILES CCOC(=O)c1nnsc1N1CCCCCC1

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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 C11H17N3O2S MW 255.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H17N3O2S/c1-2-16-11(15)9-10(17-13-12-9)14-7-5-3-4-6-8-14/h2-8H2,1H3
InChIKey
CLSIWWVGVQWUDS-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SN=N1)N2CCCCCC2
ethyl5(azepan1yl)123thiadiazole4carboxylate
ETHYL5(AZEPAN1YL)THIADIAZOLE4CARBOXYLATE
ETHYL5AZEPAN1YL123THIADIAZOLE4CARBOXYLATE
InChI=1SC11H17N3O2Sc121611(15)910(1713129)1475346814h28H21H3
MFCD06244681
ZINC000001409647
ZINC1409647

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Available files

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