Vitas-M small molecule compound

diethyl 2-[4-(dimethylamino)phenyl]-1,3-dimethyl-6-oxo-2,6-dihydrocyclohepta[c]pyrrole-5,7-dicarboxylate

Catalog ID
STK317852
SMILES CCOC(=O)c1cc2c(C)n(c(c2cc(c1=O)C(=O)OCC)C)c1ccc(cc1)N(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 C25H28N2O5 MW 436.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O5/c1-7-31-24(29)21-13-19-15(3)27(18-11-9-17(10-12-18)26(5)6)16(4)20(19)14-22(23(21)28)25(30)32-8-2/h9-14H,7-8H2,1-6H3
InChIKey
GOWCTJWMWGZJMC-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC2=C(N(C(=C2C=C(C1=O)C(=O)OCC)C)C3=CC=C(C=C3)N(C)C)C
diethyl2(4(dimethylamino)phenyl)13dimethyl6oxo26dihydrocyclohepta(c)pyrrole57dicarboxylate
diethyl2(4(dimethylamino)phenyl)13dimethyl6oxocyclohepta(c)pyrrole57dicarboxylate
DIETHYL2(4DIMETHYLAMINOPHENYL)13DIMETHYL6OXOCYCLOHEPTA(C)PYRROLE57DICARBOXYLATE
ETHYL2(4(DIMETHYLAMINO)PHENYL)7(ETHOXYCARBONYL)13DIMETHYL6OXOCYCLOHEPTA(43C)PYRROLE5CARBOXYLATE
InChI=1SC25H28N2O5c173124(29)21131915(3)27(1811917(101218)26(5)6)16(4)20(19)1422(23(21)28)25(30)3282h914H78H216H3
MFCD03448858
ZINC000001147717
ZINC01147717
ZINC1147717

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.