Vitas-M small molecule compound
ethyl 3-amino-4-[(2-hydroxyethyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Catalog ID
STK677988
SMILES OCCSc1cc(cc2c1c(N)c(s2)C(=O)OCC)[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 C13H14N2O5S2 MW 342.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N2O5S2/c1-2-20-13(17)12-11(14)10-8(21-4-3-16)5-7(15(18)19)6-9(10)22-12/h5-6,16H,2-4,14H2,1H3InChIKey
USUDJWMZZXESJM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SCCO)(N+)(=O)(O))N
ethyl3amino4((2hydroxyethyl)sulfanyl)6nitro1benzothiophene2carboxylate
ETHYL3AMINO4((2HYDROXYETHYL)THIO)6NITRO1BENZOTHIOPHENE2CARBOXYLATE
ETHYL3AMINO4(2HYDROXYETHYLSULFANYL)6NITRO1BENZOTHIOPHENE2CARBOXYLATE
InChI=1SC13H14N2O5S2c122013(17)1211(14)108(214316)57(15(18)19)69(10)2212h5616H2414H21H3
MFCD03017873
OCCSc1cc(cc2c1c(N)c(s2)C(=O)OCC)(N+)(=O)(O)
ZINC000003617455
ZINC03617455
ZINC3617455
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