Vitas-M small molecule compound
9-{2-[(4-chlorobenzyl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STL427228
SMILES Clc1ccc(cc1)COc1ccccc1C1C2=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 C30H31ClO4 MW 491.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31ClO4/c1-29(2)13-21(32)27-24(15-29)35-25-16-30(3,4)14-22(33)28(25)26(27)20-7-5-6-8-23(20)34-17-18-9-11-19(31)12-10-18/h5-12,26H,13-17H2,1-4H3InChIKey
KRKIJFHAIIUUAY-UHFFFAOYSA-NSynonyms
9(2((4chlorobenzyl)oxy)phenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(2((4chlorophenyl)methoxy)phenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=CC=C4OCC5=CC=C(C=C5)Cl)C(=O)C1)C
InChI=1SC30H31ClO4c129(2)1321(32)2724(1529)35251630(34)1422(33)28(25)26(27)20756823(20)34171891119(31)121018h51226H1317H214H3
MFCD00469795
ZINC000002076663
ZINC02076663
ZINC2076663
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