Vitas-M small molecule compound
4-{(1E)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenyl acetate
Catalog ID
STK435033
SMILES CCOc1cc(ccc1OC(=O)C)/C=C(/C(=O)Nc1ccc(cc1)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 C20H17ClN2O4 MW 384.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O4/c1-3-26-19-11-14(4-9-18(19)27-13(2)24)10-15(12-22)20(25)23-17-7-5-16(21)6-8-17/h4-11H,3H2,1-2H3,(H,23,25)/b15-10+InChIKey
ZDQUXEBXSHNVDZ-XNTDXEJSSA-NSynonyms
(4((E)3(4CHLOROANILINO)2CYANO3OXOPROP1ENYL)2ETHOXYPHENYL)ACETATE
4((1E)2(N(4CHLOROPHENYL)CARBAMOYL)2CYANOVINYL)2ETHOXYPHENYLACETATE
4((1E)3((4chlorophenyl)amino)2cyano3oxoprop1en1yl)2ethoxyphenylacetate
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)OC(=O)C
CCOc1cc(ccc1OC(=O)C)C=C(C(=O)Nc1ccc(cc1)Cl)C#N
InChI=1SC20H17ClN2O4c1326191114(4918(19)2713(2)24)1015(1222)20(25)23177516(21)6817h411H3H212H3(H2325)b1510+
MFCD04054391
ZINC000017078618
ZINC17078618
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