Vitas-M small molecule compound

methyl 2-cyano-3-(phenylamino)-3-thioxopropanoate

Catalog ID
STK949110
SMILES COC(=O)C(C(=S)Nc1ccccc1)C#N

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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 C11H10N2O2S MW 234.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H10N2O2S/c1-15-11(14)9(7-12)10(16)13-8-5-3-2-4-6-8/h2-6,9H,1H3,(H,13,16)
InChIKey
KLQIJVGKXHZBEA-UHFFFAOYSA-N
Synonyms
53545-12-3
53545123
COC(=O)C(C#N)C(=S)NC1=CC=CC=C1
InChI=1SC11H10N2O2Sc11511(14)9(712)10(16)138532468h269H1H3(H1316)
methyl2cyano3(phenylamino)3thioxopropanoate
METHYL3ANILINO2CYANO3SULFANYLIDENEPROPANOATE
MFCD03132438
ZINC000000567999
ZINC000002669166

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Available files

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