Vitas-M small molecule compound

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

Catalog ID
STK317856
SMILES CCOc1ccc(cc1)n1c(C)c2c(c1C)cc(c(=O)c(c2)C(=O)OCC)C(=O)OCC

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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 C25H27NO6 MW 437.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO6/c1-6-30-18-11-9-17(10-12-18)26-15(4)19-13-21(24(28)31-7-2)23(27)22(25(29)32-8-3)14-20(19)16(26)5/h9-14H,6-8H2,1-5H3
InChIKey
MTOLYDMVKUZBLK-UHFFFAOYSA-N
Synonyms
327060-61-7
327060617
CCOC1=CC=C(C=C1)N2C(=C3C=C(C(=O)C(=CC3=C2C)C(=O)OCC)C(=O)OCC)C
diethyl2(4ethoxyphenyl)13dimethyl6oxo26dihydrocyclohepta(c)pyrrole57dicarboxylate
DIETHYL2(4ETHOXYPHENYL)13DIMETHYL6OXOCYCLOHEPTA(C)PYRROLE57DICARBOXYLATE
InChI=1SC25H27NO6c16301811917(101218)2615(4)191321(24(28)3172)23(27)22(25(29)3283)1420(19)16(26)5h914H68H215H3
MFCD04423374
ZINC000008685190
ZINC08685190
ZINC8685190

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Available files

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