Vitas-M small molecule compound
9-{3-bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK199245
SMILES CCOc1cc(cc(c1OCc1ccc(cc1)Cl)Br)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 C32H34BrClO5 MW 613.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34BrClO5/c1-6-37-24-12-19(11-21(33)30(24)38-17-18-7-9-20(34)10-8-18)27-28-22(35)13-31(2,3)15-25(28)39-26-16-32(4,5)14-23(36)29(26)27/h7-12,27H,6,13-17H2,1-5H3InChIKey
UBELNPLTMRQLGV-UHFFFAOYSA-NSynonyms
9(3bromo4((4chlorobenzyl)oxy)5ethoxyphenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(3bromo4((4chlorophenyl)methoxy)5ethoxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)Br)OCC5=CC=C(C=C5)Cl
InChI=1SC32H34BrClO5c1637241219(1121(33)30(24)3817187920(34)10818)272822(35)1331(23)1525(28)39261632(45)1423(36)29(26)27h71227H61317H215H3
MFCD04084920
ZINC000100205483
ZINC100205483
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