Vitas-M small molecule compound
9-(2,4-dichloro-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK756586
SMILES O=C1CC(C)(C)CC2=C1C(C1=C(O2)CC(CC1=O)(C)C)c1cc([N+](=O)[O-])c(cc1Cl)Cl
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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 C23H23Cl2NO5 MW 464.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23Cl2NO5/c1-22(2)7-15(27)20-17(9-22)31-18-10-23(3,4)8-16(28)21(18)19(20)11-5-14(26(29)30)13(25)6-12(11)24/h5-6,19H,7-10H2,1-4H3InChIKey
KTCUNLBLMACBIX-UHFFFAOYSA-NSynonyms
9(24dichloro5nitrophenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(24dichloro5nitrophenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4Cl)Cl)(N+)(=O)(O))C(=O)C1)C
InChI=1SC23H23Cl2NO5c122(2)715(27)2017(922)31181023(34)816(28)21(18)19(20)11514(26(29)30)13(25)612(11)24h5619H710H214H3
MFCD00501831
O=C1CC(C)(C)CC2=C1C(C1=C(O2)CC(CC1=O)(C)C)c1cc((N+)(=O)(O))c(cc1Cl)Cl
ZINC000001022165
ZINC01022165
ZINC1022165
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