Vitas-M small molecule compound
ethyl 2-hydroxy-5-[(4E)-4-(hydroxyimino)-6,6-dimethyl-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl]benzoate
Catalog ID
STL320809
SMILES CCOC(=O)c1cc(ccc1O)n1c(cc2c1CC(C)(C)C/C/2=N\O)c1ccccc1
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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 C25H26N2O4 MW 418.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O4/c1-4-31-24(29)19-12-17(10-11-23(19)28)27-21(16-8-6-5-7-9-16)13-18-20(26-30)14-25(2,3)15-22(18)27/h5-13,28,30H,4,14-15H2,1-3H3/b26-20+InChIKey
AERHYXPCJFPYBL-LHLOQNFPSA-NSynonyms
(E)ethyl2hydroxy5(4(hydroxyimino)66dimethyl2phenyl4567tetrahydro1Hindol1yl)benzoate
CCOC(=O)C1=C(C=CC(=C1)N2C3=C(C=C2C4=CC=CC=C4)C(=NO)CC(C3)(C)C)O
CCOC(=O)c1cc(ccc1O)n1c(cc2c1CC(C)(C)CC2=NO)c1ccccc1
ethyl2hydroxy5((4E)4(hydroxyimino)66dimethyl2phenyl4567tetrahydro1Hindol1yl)benzoate
ETHYL2HYDROXY5((4E)4HYDROXYIMINO66DIMETHYL2PHENYL57DIHYDROINDOL1YL)BENZOATE
InChI=1SC25H26N2O4c143124(29)191217(101123(19)28)2721(168657916)131820(2630)1425(23)1522(18)27h5132830H41415H213H3b2620+
MFCD01238762
ZINC000004728689
ZINC101363399
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