Vitas-M small molecule compound

2-ethoxy-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
STK415173
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)Cl)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 C32H33ClO6 MW 549.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33ClO6/c1-6-37-24-13-19(9-12-23(24)39-30(36)18-7-10-20(33)11-8-18)27-28-21(34)14-31(2,3)16-25(28)38-26-17-32(4,5)15-22(35)29(26)27/h7-13,27H,6,14-17H2,1-5H3
InChIKey
CVEPECSSEKZGKM-UHFFFAOYSA-N
Synonyms

(2ethoxy4(3366tetramethyl18dioxo4579tetrahydro2Hxanthen9yl)phenyl)4chlorobenzoate
2ethoxy4(3366tetramethyl18dioxo23456789octahydro1Hxanthen9yl)phenyl4chlorobenzoate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)OC(=O)C5=CC=C(C=C5)Cl
InChI=1SC32H33ClO6c1637241319(91223(24)3930(36)1871020(33)11818)272821(34)1431(23)1625(28)38261732(45)1522(35)29(26)27h71327H61417H215H3
MFCD03943373
ZINC000097948017
ZINC97948017

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Available files

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