Vitas-M small molecule compound

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

Catalog ID
STK760468
SMILES CCOC(=O)C1=C(Nc2ccccc2)CC(C(C1c1ccc(cc1)C)C(=O)OCC)(C)O

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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 C26H31NO5 MW 437.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO5/c1-5-31-24(28)22-20(27-19-10-8-7-9-11-19)16-26(4,30)23(25(29)32-6-2)21(22)18-14-12-17(3)13-15-18/h7-15,21,23,27,30H,5-6,16H2,1-4H3
InChIKey
OPHFQBWCFDSCTD-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1C(C(=C(CC1(C)O)NC2=CC=CC=C2)C(=O)OCC)C3=CC=C(C=C3)C
DIETHYL4ANILINO6HYDROXY6METHYL2(4METHYLPHENYL)CYCLOHEX3ENE13DICARBOXYLATE
diethyl6hydroxy6methyl2(4methylphenyl)4(phenylamino)cyclohex3ene13dicarboxylate
InChI=1SC26H31NO5c153124(28)2220(2719108791119)1626(430)23(25(29)3262)21(22)18141217(3)131518h71521232730H5616H214H3
MFCD01821760
ZINC000102990415
ZINC000245235847

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Available files

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