Vitas-M small molecule compound
4-(diethylamino)-3-nitro-2H-thiochromen-2-one
Catalog ID
STK780173
SMILES CCN(c1c([N+](=O)[O-])c(=O)sc2c1cccc2)CC
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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 C13H14N2O3S MW 278.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N2O3S/c1-3-14(4-2)11-9-7-5-6-8-10(9)19-13(16)12(11)15(17)18/h5-8H,3-4H2,1-2H3InChIKey
ITMVIGBXFFFSLQ-UHFFFAOYSA-NSynonyms
59647-31-31THIOCOUMARIN4DIETHYLAMINO3NITRO
4(DIETHYLAMINO)3NITRO2HTHIOCHROMEN2ONE
4(DIETHYLAMINO)3NITROBENZO(E)THIIN2ONE
4(DIETHYLAMINO)3NITROTHIOCHROMEN2ONE
4DIETHYLAMINO3NITRO1THIOCOUMARIN
59647313
CCN(c1c((N+)(=O)(O))c(=O)sc2c1cccc2)CC
CCN(CC)C1=C(C(=O)SC2=CC=CC=C21)(N+)(=O)(O)
InChI=1SC13H14N2O3Sc1314(42)119756810(9)1913(16)12(11)15(17)18h58H34H212H3
MFCD00805446
ZINC000004256157
ZINC04256157
ZINC4256157
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