Vitas-M small molecule compound
9-[4-(benzyloxy)-3-bromo-5-ethoxyphenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK198854
SMILES CCOc1cc(cc(c1OCc1ccccc1)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 C32H35BrO5 MW 579.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35BrO5/c1-6-36-24-13-20(12-21(33)30(24)37-18-19-10-8-7-9-11-19)27-28-22(34)14-31(2,3)16-25(28)38-26-17-32(4,5)15-23(35)29(26)27/h7-13,27H,6,14-18H2,1-5H3InChIKey
NOOOFRORDNSCQH-UHFFFAOYSA-NSynonyms
9(3bromo5ethoxy4phenylmethoxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
9(4(benzyloxy)3bromo5ethoxyphenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)Br)OCC5=CC=CC=C5
InChI=1SC32H35BrO5c1636241320(1221(33)30(24)371819108791119)272822(34)1431(23)1625(28)38261732(45)1523(35)29(26)27h71327H61418H215H3
MFCD04084919
ZINC000100208053
ZINC100208053
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