Vitas-M small molecule compound
ethyl 5-{[(2-chloro-5-iodophenyl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate
Catalog ID
STK084971
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)c1cc(I)ccc1Cl
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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 C16H12ClIN2O3S MW 474.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClIN2O3S/c1-3-23-16(22)13-8(2)11(7-19)15(24-13)20-14(21)10-6-9(18)4-5-12(10)17/h4-6H,3H2,1-2H3,(H,20,21)InChIKey
LGWYGIHHIFKXFP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=CC(=C2)I)Cl)C#N)C
CCOC(=O)c1sc(c(c1C)C#N)NC(=O)c1cc(I)ccc1Cl
ETHYL5(((2CHLORO5IODOPHENYL)CARBONYL)AMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
ETHYL5((2CHLORO5IODOBENZOYL)AMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
InChI=1SC16H12ClIN2O3Sc132316(22)138(2)11(719)15(2413)2014(21)1069(18)4512(10)17h46H3H212H3(H2021)
MFCD03243249
STK084971
ZINC000009679138
ZINC09679138
ZINC9679138
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