Vitas-M small molecule compound

4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-bromobenzoate

Catalog ID
STK150465
SMILES Brc1cccc(c1)C(=O)Oc1ccc(cc1)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2

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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 C26H21BrO5 MW 493.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrO5/c27-17-5-1-4-16(14-17)26(30)31-18-12-10-15(11-13-18)23-24-19(28)6-2-8-21(24)32-22-9-3-7-20(29)25(22)23/h1,4-5,10-14,23H,2-3,6-9H2
InChIKey
FLABRFDVLQGAED-UHFFFAOYSA-N
Synonyms

(4(18dioxo345679hexahydro2Hxanthen9yl)phenyl)3bromobenzoate
4(18dioxo23456789octahydro1Hxanthen9yl)phenyl3bromobenzoate
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC=C(C=C4)OC(=O)C5=CC(=CC=C5)Br)C(=O)C1
InChI=1SC26H21BrO5c271751416(1417)26(30)3118121015(111318)232419(28)62821(24)322293720(29)25(22)23h145101423H2369H2
MFCD04593278
ZINC000009720498
ZINC09720498
ZINC9720498

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Available files

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