Vitas-M small molecule compound

methyl 3-{[2-(cyclopropylamino)-3,4-dioxocyclobut-1-en-1-yl]amino}thiophene-2-carboxylate

Catalog ID
STL407834
SMILES COC(=O)c1sccc1NC1=C(C(=O)C1=O)NC1CC1

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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 C13H12N2O4S MW 292.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N2O4S/c1-19-13(18)12-7(4-5-20-12)15-9-8(10(16)11(9)17)14-6-2-3-6/h4-6,14-15H,2-3H2,1H3
InChIKey
XURRFFPFRJYTGM-UHFFFAOYSA-N
Synonyms
1574364-44-5
1574364445
COC(=O)C1=C(C=CS1)NC2=C(C(=O)C2=O)NC3CC3
InChI=1SC13H12N2O4Sc11913(18)127(452012)1598(10(16)11(9)17)146236h461415H23H21H3
methyl3((2(cyclopropylamino)34dioxocyclobut1en1yl)amino)thiophene2carboxylate
methyl3((2(cyclopropylamino)34dioxocyclobuten1yl)amino)thiophene2carboxylate
MFCD28059109
ZINC000108453976
ZINC108453976

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Available files

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