Vitas-M small molecule compound

diethyl 6-hydroxy-6-methyl-2-(4-nitrophenyl)-4-(phenylamino)cyclohex-3-ene-1,3-dicarboxylate

Catalog ID
STL048307
SMILES CCOC(=O)C1=C(CC(C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)OCC)(C)O)Nc1ccccc1

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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 C25H28N2O7 MW 468.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O7/c1-4-33-23(28)21-19(26-17-9-7-6-8-10-17)15-25(3,30)22(24(29)34-5-2)20(21)16-11-13-18(14-12-16)27(31)32/h6-14,20,22,26,30H,4-5,15H2,1-3H3
InChIKey
UXGJVFWQBGZVEQ-UHFFFAOYSA-N
Synonyms
1022147-88-1
1022147881
CCOC(=O)C1=C(CC(C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)OCC)(C)O)Nc1ccccc1
CCOC(=O)C1C(C(=C(CC1(C)O)NC2=CC=CC=C2)C(=O)OCC)C3=CC=C(C=C3)(N+)(=O)(O)
diethyl3hydroxy3methyl4nitro5(phenylamino)1234tetrahydro(11biphenyl)26dicarboxylate
DIETHYL4ANILINO6HYDROXY6METHYL2(4NITROPHENYL)CYCLOHEX3ENE13DICARBOXYLATE
diethyl6hydroxy6methyl2(4nitrophenyl)4(phenylamino)cyclohex3ene13dicarboxylate
InChI=1SC25H28N2O7c143323(28)2119(261797681017)1525(330)22(24(29)3452)20(21)16111318(141216)27(31)32h61420222630H4515H213H3
MFCD02161023
ZINC000102761699
ZINC000245247530

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Available files

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