Vitas-M small molecule compound
9-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK831713
SMILES COc1ccc(cc1COc1ccc(cc1)[N+](=O)[O-])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 C31H33NO7 MW 531.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33NO7/c1-30(2)13-22(33)28-25(15-30)39-26-16-31(3,4)14-23(34)29(26)27(28)18-6-11-24(37-5)19(12-18)17-38-21-9-7-20(8-10-21)32(35)36/h6-12,27H,13-17H2,1-5H3InChIKey
UFULLQHSZKVZBV-UHFFFAOYSA-NSynonyms
381702-67-6381702676
9(4methoxy3((4nitrophenoxy)methyl)phenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(4methoxy3((4nitrophenoxy)methyl)phenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OC)COC5=CC=C(C=C5)(N+)(=O)(O))C(=O)C1)C
COc1ccc(cc1COc1ccc(cc1)(N+)(=O)(O))C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C
InChI=1SC31H33NO7c130(2)1322(33)2825(1530)39261631(34)1423(34)29(26)27(28)1861124(375)19(1218)1738219720(81021)32(35)36h61227H1317H215H3
MFCD02608237
ZINC000000985516
ZINC00985516
ZINC985516
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