Vitas-M small molecule compound

methyl 5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,2,3-thiadiazole-4-carboxylate

Catalog ID
STK658526
SMILES COC(=O)c1nnsc1NC(=O)/C=C/c1ccccc1

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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 C13H11N3O3S MW 289.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N3O3S/c1-19-13(18)11-12(20-16-15-11)14-10(17)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,14,17)/b8-7+
InChIKey
CJNAIZXYVPBNJI-BQYQJAHWSA-N
Synonyms
1144459-37-9
COC(=O)C1=C(SN=N1)NC(=O)C=CC2=CC=CC=C2
COC(=O)c1nnsc1NC(=O)C=Cc1ccccc1
methyl5(((2E)3phenylprop2enoyl)amino)123thiadiazole4carboxylate
methyl5(((E)3phenylprop2enoyl)amino)thiadiazole4carboxylate
methyl5cinnamamido123thiadiazole4carboxylate
Registry IDs
MFCD12216339
ZINC000032100723
ZINC32100723

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Available files

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