Vitas-M small molecule compound
3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-nitrobenzoate
Catalog ID
STK052306
SMILES O=C(c1cccc(c1)[N+](=O)[O-])Oc1cccc(c1)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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 C26H21NO7 MW 459.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21NO7/c28-19-9-3-11-21-24(19)23(25-20(29)10-4-12-22(25)34-21)15-5-2-8-18(14-15)33-26(30)16-6-1-7-17(13-16)27(31)32/h1-2,5-8,13-14,23H,3-4,9-12H2InChIKey
IPEYQNAHQZQCMF-UHFFFAOYSA-NSynonyms
(3(18dioxo345679hexahydro2Hxanthen9yl)phenyl)3nitrobenzoate
3(18dioxo23456789octahydro1Hxanthen9yl)phenyl3nitrobenzoate
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC(=CC=C4)OC(=O)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C1
InChI=1SC26H21NO7c281993112124(19)23(2520(29)1041222(25)3421)1552818(1415)3326(30)1661717(1316)27(31)32h1258131423H34912H2
MFCD03714125
O=C(c1cccc(c1)(N+)(=O)(O))Oc1cccc(c1)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2
STK052306
ZINC000001115829
ZINC01115829
ZINC1115829
Check stock
See real-time availability and sample size for STK052306 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.