Vitas-M small molecule compound
ethyl 4-cyano-3-methyl-5-{[(3-nitrophenyl)carbonyl]amino}thiophene-2-carboxylate
Catalog ID
STK412816
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)c1cccc(c1)[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 C16H13N3O5S MW 359.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O5S/c1-3-24-16(21)13-9(2)12(8-17)15(25-13)18-14(20)10-5-4-6-11(7-10)19(22)23/h4-7H,3H2,1-2H3,(H,18,20)InChIKey
SKKXPALWSIDZDX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)(N+)(=O)(O))C#N)C
CCOC(=O)c1sc(c(c1C)C#N)NC(=O)c1cccc(c1)(N+)(=O)(O)
ethyl4cyano3methyl5(((3nitrophenyl)carbonyl)amino)thiophene2carboxylate
ETHYL4CYANO3METHYL5((3NITROBENZOYL)AMINO)THIOPHENE2CARBOXYLATE
ETHYL4CYANO3METHYL5((3NITROPHENYL)CARBONYLAMINO)THIOPHENE2CARBOXYLATE
ETHYL4CYANO3METHYL5(3NITROBENZAMIDO)THIOPHENE2CARBOXYLATE
InChI=1SC16H13N3O5Sc132416(21)139(2)12(817)15(2513)1814(20)1054611(710)19(22)23h47H3H212H3(H1820)
MFCD01354856
ZINC000001964993
ZINC01964993
ZINC1964993
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