Vitas-M small molecule compound
4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3,4-dichlorobenzoate
Catalog ID
STK024148
SMILES O=C(c1ccc(c(c1)Cl)Cl)Oc1ccc(cc1)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C
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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 C30H28Cl2O5 MW 539.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28Cl2O5/c1-29(2)12-21(33)26-23(14-29)37-24-15-30(3,4)13-22(34)27(24)25(26)16-5-8-18(9-6-16)36-28(35)17-7-10-19(31)20(32)11-17/h5-11,25H,12-15H2,1-4H3InChIKey
LIFFLUFWSOEJJR-UHFFFAOYSA-NSynonyms
(4(3366tetramethyl18dioxo4579tetrahydro2Hxanthen9yl)phenyl)34dichlorobenzoate
4(3366tetramethyl18dioxo23456789octahydro1Hxanthen9yl)phenyl34dichlorobenzoate
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(C=C4)OC(=O)C5=CC(=C(C=C5)Cl)Cl)C(=O)C1)C
InChI=1SC30H28Cl2O5c129(2)1221(33)2623(1429)37241530(34)1322(34)27(24)25(26)165818(9616)3628(35)1771019(31)20(32)1117h51125H1215H214H3
MFCD03861929
O=C(c1ccc(c(c1)Cl)Cl)Oc1ccc(cc1)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C
STK024148
ZINC000002128354
ZINC02128354
ZINC2128354
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