Vitas-M small molecule compound

methyl 4-{[(2-hydroxy-3-methyl-5-nitrophenyl)carbamothioyl]amino}-4-oxobutanoate

Catalog ID
STL570202
SMILES COC(=O)CCC(=O)NC(=S)Nc1cc(cc(c1O)C)[N+](=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 C13H15N3O6S MW 341.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O6S/c1-7-5-8(16(20)21)6-9(12(7)19)14-13(23)15-10(17)3-4-11(18)22-2/h5-6,19H,3-4H2,1-2H3,(H2,14,15,17,23)
InChIKey
MFJWVXCTVGVILS-UHFFFAOYSA-N
Synonyms

145705619
InChI=1SC13H15N3O6Sc1758(16(20)21)69(12(7)19)1413(23)1510(17)3411(18)222h5619H34H212H3(H214151723)
methyl4(((2hydroxy3methyl5nitrophenyl)carbamothioyl)amino)4oxobutanoate
methyl4((2hydroxy3methyl5nitrophenyl)carbamothioylamino)4oxobutanoate
MFCD32650387
ZINC001848442514

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Available files

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