Vitas-M small molecule compound

3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 4-methoxybenzoate

Catalog ID
STL464645
SMILES CCCCCCc1c(=O)oc2c(c1C)ccc(c2C)OC(=O)c1ccc(cc1)OC

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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 C25H28O5 MW 408.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28O5/c1-5-6-7-8-9-21-16(2)20-14-15-22(17(3)23(20)30-25(21)27)29-24(26)18-10-12-19(28-4)13-11-18/h10-15H,5-9H2,1-4H3
InChIKey
RFPQAWZBNZNOIH-UHFFFAOYSA-N
Synonyms
670242-90-7
(3HEXYL48DIMETHYL2OXOCHROMEN7YL)4METHOXYBENZOATE
3hexyl48dimethyl2oxo2Hchromen7yl4methoxybenzoate
670242907
CCCCCCC1=C(C2=C(C(=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)C)OC1=O)C
InChI=1SC25H28O5c1567892116(2)20141522(17(3)23(20)3025(21)27)2924(26)18101219(284)131118h1015H59H214H3
MFCD03661398
ZINC000004043436
ZINC04043436
ZINC4043436

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Available files

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