Vitas-M small molecule compound
ethyl 5-{[(2-chloro-4-nitrophenyl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate
Catalog ID
STK412805
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)c1ccc(cc1Cl)[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 C16H12ClN3O5S MW 393.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN3O5S/c1-3-25-16(22)13-8(2)11(7-18)15(26-13)19-14(21)10-5-4-9(20(23)24)6-12(10)17/h4-6H,3H2,1-2H3,(H,19,21)InChIKey
SSNFQPZKFWVDDN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=C(C=C2)(N+)(=O)(O))Cl)C#N)C
CCOC(=O)c1sc(c(c1C)C#N)NC(=O)c1ccc(cc1Cl)(N+)(=O)(O)
ethyl5(((2chloro4nitrophenyl)carbonyl)amino)4cyano3methylthiophene2carboxylate
ETHYL5((2CHLORO4NITROBENZOYL)AMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
ETHYL5((2CHLORO4NITROPHENYL)CARBONYLAMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
InChI=1SC16H12ClN3O5Sc132516(22)138(2)11(718)15(2613)1914(21)10549(20(23)24)612(10)17h46H3H212H3(H1921)
MFCD01358368
ZINC000001965036
ZINC01965036
ZINC1965036
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