Vitas-M small molecule compound
methyl 2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK080510
SMILES COC(=O)C1=C(SCC1=O)Nc1ccc(cc1)[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 C12H10N2O5S MW 294.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10N2O5S/c1-19-12(16)10-9(15)6-20-11(10)13-7-2-4-8(5-3-7)14(17)18/h2-5,13H,6H2,1H3InChIKey
WXVOTGRIGFWQJI-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SCC1=O)Nc1ccc(cc1)(N+)(=O)(O)
COC(=O)C1=C(SCC1=O)NC2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC12H10N2O5Sc11912(16)109(15)62011(10)137248(537)14(17)18h2513H6H21H3
METHYL2((4NITROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
METHYL2((4NITROPHENYL)AMINO)4OXO5HYDROTHIOPHENE3CARBOXYLATE
METHYL2(4NITROANILINO)4OXOTHIOPHENE3CARBOXYLATE
MFCD03140739
STK080510
ZINC000100431558
ZINC100431558
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