Vitas-M small molecule compound
4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 2,4-dichlorobenzoate
Catalog ID
STK150464
SMILES Clc1ccc(c(c1)Cl)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 C26H20Cl2O5 MW 483.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20Cl2O5/c27-15-9-12-17(18(28)13-15)26(31)32-16-10-7-14(8-11-16)23-24-19(29)3-1-5-21(24)33-22-6-2-4-20(30)25(22)23/h7-13,23H,1-6H2InChIKey
SNOYTXNWLCPTBJ-UHFFFAOYSA-NSynonyms
(4(18dioxo345679hexahydro2Hxanthen9yl)phenyl)24dichlorobenzoate
4(18dioxo23456789octahydro1Hxanthen9yl)phenyl24dichlorobenzoate
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC=C(C=C4)OC(=O)C5=C(C=C(C=C5)Cl)Cl)C(=O)C1
InChI=1SC26H20Cl2O5c271591217(18(28)1315)26(31)321610714(81116)232419(29)31521(24)332262420(30)25(22)23h71323H16H2
MFCD04527335
ZINC000009720497
ZINC09720497
ZINC9720497
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