Vitas-M small molecule compound

methyl N-[(4-phenyl-1,2,3-thiadiazol-5-yl)carbonyl]-beta-alaninate

Catalog ID
STK930823
SMILES COC(=O)CCNC(=O)c1snnc1c1ccccc1

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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/c1-19-10(17)7-8-14-13(18)12-11(15-16-20-12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,14,18)
InChIKey
CGKOPEHHGBWEFE-UHFFFAOYSA-N
Synonyms
1232802-51-5
1232802515
COC(=O)CCNC(=O)C1=C(N=NS1)C2=CC=CC=C2
InChI=1SC13H13N3O3Sc11910(17)781413(18)1211(15162012)9532469h26H78H21H3(H1418)
methyl3((4phenylthiadiazole5carbonyl)amino)propanoate
methyl3(4phenyl123thiadiazole5carboxamido)propanoate
methylN((4phenyl123thiadiazol5yl)carbonyl)betaalaninate
MFCD18067256
ZINC000044891463
ZINC44891463

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Available files

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