Vitas-M small molecule compound
9-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK198849
SMILES COc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C
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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)13-21(33)28-25(15-30)39-26-16-31(3,4)14-22(34)29(26)27(28)19-8-11-23(24(12-19)37-5)38-17-18-6-9-20(10-7-18)32(35)36/h6-12,27H,13-17H2,1-5H3InChIKey
QTXZYKWLHDHASC-UHFFFAOYSA-NSynonyms
9(3methoxy4((4nitrobenzyl)oxy)phenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(3methoxy4((4nitrophenyl)methoxy)phenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OCC5=CC=C(C=C5)(N+)(=O)(O))OC)C(=O)C1)C
COc1cc(ccc1OCc1ccc(cc1)(N+)(=O)(O))C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C
InChI=1SC31H33NO7c130(2)1321(33)2825(1530)39261631(34)1422(34)29(26)27(28)1981123(24(1219)375)3817186920(10718)32(35)36h61227H1317H215H3
MFCD01892328
ZINC000000786615
ZINC00786615
ZINC786615
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