Vitas-M small molecule compound
9-{4-[(4-bromobenzyl)oxy]-3-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK198855
SMILES COc1cc(ccc1OCc1ccc(cc1)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 C31H33BrO5 MW 565.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33BrO5/c1-30(2)13-21(33)28-25(15-30)37-26-16-31(3,4)14-22(34)29(26)27(28)19-8-11-23(24(12-19)35-5)36-17-18-6-9-20(32)10-7-18/h6-12,27H,13-17H2,1-5H3InChIKey
PMBIPULRKIVNJB-UHFFFAOYSA-NSynonyms
9(4((4bromobenzyl)oxy)3methoxyphenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(4((4bromophenyl)methoxy)3methoxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OCC5=CC=C(C=C5)Br)OC)C(=O)C1)C
InChI=1SC31H33BrO5c130(2)1321(33)2825(1530)37261631(34)1422(34)29(26)27(28)1981123(24(1219)355)3617186920(32)10718h61227H1317H215H3
MFCD03547861
ZINC000100210536
ZINC100210536
Check stock
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