Vitas-M small molecule compound

(2Z)-4-{[5-(ethoxycarbonyl)-4-methylthiophen-2-yl]amino}-4-oxobut-2-enoic acid

Catalog ID
STK988520
SMILES CCOC(=O)c1sc(cc1C)NC(=O)/C=C\C(=O)O

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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 C12H13NO5S MW 283.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13NO5S/c1-3-18-12(17)11-7(2)6-9(19-11)13-8(14)4-5-10(15)16/h4-6H,3H2,1-2H3,(H,13,14)(H,15,16)/b5-4-
InChIKey
TVGBYOULJYWIFM-PLNGDYQASA-N
Synonyms
924873-77-8
(2Z)4((5(ethoxycarbonyl)4methylthiophen2yl)amino)4oxobut2enoicacid
(Z)4((5ethoxycarbonyl4methylthiophen2yl)amino)4oxobut2enoicacid
924873778
CCOC(=O)C1=C(C=C(S1)NC(=O)C=CC(=O)O)C
CCOC(=O)c1sc(cc1C)NC(=O)C=CC(=O)O
InChI=1SC12H13NO5Sc131812(17)117(2)69(1911)138(14)4510(15)16h46H3H212H3(H1314)(H1516)b54
MFCD09250824
ZINC000101163595
ZINC101163595

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Available files

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