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 4-chlorobenzoate
Catalog ID
STK150136
SMILES Clc1ccc(cc1)C(=O)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 C30H29ClO5 MW 505.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29ClO5/c1-29(2)13-21(32)26-23(15-29)36-24-16-30(3,4)14-22(33)27(24)25(26)17-7-11-20(12-8-17)35-28(34)18-5-9-19(31)10-6-18/h5-12,25H,13-16H2,1-4H3InChIKey
YITHQLYHLRDBRH-UHFFFAOYSA-NSynonyms
(4(3366tetramethyl18dioxo4579tetrahydro2Hxanthen9yl)phenyl)4chlorobenzoate
4(3366tetramethyl18dioxo23456789octahydro1Hxanthen9yl)phenyl4chlorobenzoate
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)C(=O)C1)C
InChI=1SC30H29ClO5c129(2)1321(32)2623(1529)36241630(34)1422(33)27(24)25(26)1771120(12817)3528(34)185919(31)10618h51225H1316H214H3
MFCD03861951
ZINC000002128400
ZINC02128400
ZINC2128400
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