Vitas-M small molecule compound

3-hexyl-4,8-dimethyl-7-[(2-oxocyclohexyl)oxy]-2H-chromen-2-one

Catalog ID
STL464650
SMILES CCCCCCc1c(=O)oc2c(c1C)ccc(c2C)OC1CCCCC1=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 C23H30O4 MW 370.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30O4/c1-4-5-6-7-10-18-15(2)17-13-14-20(16(3)22(17)27-23(18)25)26-21-12-9-8-11-19(21)24/h13-14,21H,4-12H2,1-3H3
InChIKey
AJZGNTQMBHDQGP-UHFFFAOYSA-N
Synonyms
858757-06-9
3hexyl48dimethyl7((2oxocyclohexyl)oxy)2Hchromen2one
3HEXYL48DIMETHYL7(2OXOCYCLOHEXYL)OXYCHROMEN2ONE
858757069
CCCCCCC1=C(C2=C(C(=C(C=C2)OC3CCCCC3=O)C)OC1=O)C
InChI=1SC23H30O4c14567101815(2)17131420(16(3)22(17)2723(18)25)262112981119(21)24h131421H412H213H3
MFCD03853232
ZINC000002094579
ZINC000002094581

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Available files

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