Vitas-M small molecule compound

9-[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

Catalog ID
STK757128
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1ccc(c(c1C)C)[N+](=O)[O-])C1=C(O2)CC(CC1=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 C29H31NO6 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO6/c1-15-16(2)18(30(33)34)8-7-17(15)21-9-10-22(35-21)27-25-19(31)11-28(3,4)13-23(25)36-24-14-29(5,6)12-20(32)26(24)27/h7-10,27H,11-14H2,1-6H3
InChIKey
AGFCVYSFIICPOY-UHFFFAOYSA-N
Synonyms

9(5(23dimethyl4nitrophenyl)furan2yl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(5(23dimethyl4nitrophenyl)furan2yl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1=C(C=CC(=C1C)(N+)(=O)(O))C2=CC=C(O2)C3C4=C(CC(CC4=O)(C)C)OC5=C3C(=O)CC(C5)(C)C
InChI=1SC29H31NO6c11516(2)18(30(33)34)8717(15)2191022(3521)272519(31)1128(34)1323(25)36241429(56)1220(32)26(24)27h71027H1114H216H3
MFCD01029622
O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1ccc(c(c1C)C)(N+)(=O)(O))C1=C(O2)CC(CC1=O)(C)C
ZINC000000713892
ZINC00713892
ZINC713892

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Available files

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