Vitas-M small molecule compound
ethyl (4E)-5-(4-chlorophenyl)-2,2-diethyl-3-oxopent-4-enoate
Catalog ID
STL328435
SMILES CCC(C(=O)/C=C/c1ccc(cc1)Cl)(C(=O)OCC)CC
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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 C17H21ClO3 MW 308.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21ClO3/c1-4-17(5-2,16(20)21-6-3)15(19)12-9-13-7-10-14(18)11-8-13/h7-12H,4-6H2,1-3H3/b12-9+InChIKey
QPXVRISISDCWOA-FMIVXFBMSA-NSynonyms
(E)ethyl5(4chlorophenyl)22diethyl3oxopent4enoate
CCC(C(=O)C=Cc1ccc(cc1)Cl)(C(=O)OCC)CC
CCC(CC)(C(=O)C=CC1=CC=C(C=C1)Cl)C(=O)OCC
ethyl(4E)5(4chlorophenyl)22diethyl3oxopent4enoate
ETHYL(E)5(4CHLOROPHENYL)22DIETHYL3OXOPENT4ENOATE
InChI=1SC17H21ClO3c1417(5216(20)2163)15(19)1291371014(18)11813h712H46H213H3b129+
MFCD02163624
ZINC000002291244
ZINC02291244
ZINC2291244
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