Vitas-M small molecule compound
9-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK661801
SMILES COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)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 C31H30F3NO7 MW 585.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30F3NO7/c1-29(2)12-19(36)27-24(14-29)42-25-15-30(3,4)13-20(37)28(25)26(27)16-6-8-22(23(10-16)40-5)41-21-9-7-17(31(32,33)34)11-18(21)35(38)39/h6-11,26H,12-15H2,1-5H3InChIKey
OZXCEZGOBFFHKX-UHFFFAOYSA-NSynonyms
9(3methoxy4(2nitro4(trifluoromethyl)phenoxy)phenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(3methoxy4(2nitro4(trifluoromethyl)phenoxy)phenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OC5=C(C=C(C=C5)C(F)(F)F)(N+)(=O)(O))OC)C(=O)C1)C
COc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C
InChI=1SC31H30F3NO7c129(2)1219(36)2724(1429)42251530(34)1320(37)28(25)26(27)166822(23(1016)405)41219717(31(3233)34)1118(21)35(38)39h61126H1215H215H3
MFCD01066161
ZINC000002911410
ZINC02911410
ZINC2911410
Check stock
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Check stock on Vitas-MAvailable files
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