Vitas-M small molecule compound
4-{(1E)-3-[(4-chloro-2-nitrophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenyl acetate
Catalog ID
STL382734
SMILES CCOc1cc(ccc1OC(=O)C)/C=C(/C(=O)Nc1ccc(cc1[N+](=O)[O-])Cl)\C#N
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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 C20H16ClN3O6 MW 429.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O6/c1-3-29-19-9-13(4-7-18(19)30-12(2)25)8-14(11-22)20(26)23-16-6-5-15(21)10-17(16)24(27)28/h4-10H,3H2,1-2H3,(H,23,26)/b14-8+InChIKey
XEEFUEXEOFVXSE-RIYZIHGNSA-NSynonyms
(4((E)3(4CHLORO2NITROANILINO)2CYANO3OXOPROP1ENYL)2ETHOXYPHENYL)ACETATE
4((1E)2(N(4CHLORO2NITROPHENYL)CARBAMOYL)2CYANOVINYL)2ETHOXYPHENYLACETATE
4((1E)3((4chloro2nitrophenyl)amino)2cyano3oxoprop1en1yl)2ethoxyphenylacetate
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)Cl)(N+)(=O)(O))OC(=O)C
CCOc1cc(ccc1OC(=O)C)C=C(C(=O)Nc1ccc(cc1(N+)(=O)(O))Cl)C#N
InChI=1SC20H16ClN3O6c132919913(4718(19)3012(2)25)814(1122)20(26)23166515(21)1017(16)24(27)28h410H3H212H3(H2326)b148+
MFCD02731685
ZINC000013387991
ZINC13387991
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