Vitas-M small molecule compound
(1Z,1'Z)-1,1'-octahydroquinoxaline-2,3-diylidenebis(3,3-dimethylbutan-2-one)
Catalog ID
STK679239
SMILES O=C(C(C)(C)C)/C=C/1\NC2CCCCC2N\C1=C/C(=O)C(C)(C)C
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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 C20H32N2O2 MW 332.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H32N2O2/c1-19(2,3)17(23)11-15-16(12-18(24)20(4,5)6)22-14-10-8-7-9-13(14)21-15/h11-14,21-22H,7-10H2,1-6H3/b15-11-,16-12-InChIKey
PEMLPACMQJOXII-NFLUSIDLSA-NSynonyms
(1Z)1((3Z)3(33dimethyl2oxobutylidene)144a56788aoctahydroquinoxalin2ylidene)33dimethylbutan2one
(1Z1Z)11octahydroquinoxaline23diylidenebis(33dimethylbutan2one)
CC(C)(C)C(=O)C=C1C(=CC(=O)C(C)(C)C)NC2CCCCC2N1
InChI=1SC20H32N2O2c119(23)17(23)111516(1218(24)20(45)6)22141087913(14)2115h11142122H710H216H3b15111612
MFCD03269030
O=C(C(C)(C)C)C=C1NC2CCCCC2NC1=CC(=O)C(C)(C)C
ZINC000004576404
ZINC000012364913
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