Vitas-M small molecule compound

3-(4-chlorophenyl)-6-hexyl-4-oxo-4H-chromen-7-yl 2,4,6-trimethylbenzoate

Catalog ID
STL513441
SMILES CCCCCCc1cc2c(cc1OC(=O)c1c(C)cc(cc1C)C)occ(c2=O)c1ccc(cc1)Cl

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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 C31H31ClO4 MW 503.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31ClO4/c1-5-6-7-8-9-23-16-25-28(35-18-26(30(25)33)22-10-12-24(32)13-11-22)17-27(23)36-31(34)29-20(3)14-19(2)15-21(29)4/h10-18H,5-9H2,1-4H3
InChIKey
XRBXDCVVBNKWPA-UHFFFAOYSA-N
Synonyms
370841-46-6
(3(4CHLOROPHENYL)6HEXYL4OXOCHROMEN7YL)246TRIMETHYLBENZOATE
1563543
3(4chlorophenyl)6hexyl4oxo4Hchromen7yl246trimethylbenzoate
3(4CHLOROPHENYL)6HEXYL4OXOCHROMEN7YL246TRIMETHYLBENZOATE
370841466
InChI=1SC31H31ClO4c15678923162528(351826(30(25)33)22101224(32)131122)1727(23)3631(34)2920(3)1419(2)1521(29)4h1018H59H214H3
MFCD02359606
ZINC000001771680
ZINC1771680

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Available files

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