Vitas-M small molecule compound

4-(7,7-dimethyl-9,11-dioxo-6,7,8,9,10,11-hexahydro-5H-indeno[1,2-b]quinolin-10-yl)phenyl (2E)-3-(4-nitrophenyl)prop-2-enoate

Catalog ID
STK136298
SMILES O=C(Oc1ccc(cc1)C1C2=C(NC3=C1C(=O)c1c3cccc1)CC(CC2=O)(C)C)/C=C/c1ccc(cc1)[N+](=O)[O-]

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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 C33H26N2O6 MW 546.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26N2O6/c1-33(2)17-25-29(26(36)18-33)28(30-31(34-25)23-5-3-4-6-24(23)32(30)38)20-10-14-22(15-11-20)41-27(37)16-9-19-7-12-21(13-8-19)35(39)40/h3-16,28,34H,17-18H2,1-2H3/b16-9+
InChIKey
HFFIVKRSILHFDQ-CXUHLZMHSA-N
Synonyms
355824-26-9
(4(77dimethyl911dioxo56810tetrahydroindeno(12b)quinolin10yl)phenyl)(E)3(4nitrophenyl)prop2enoate
(E)4(77dimethyl911dioxo67891011hexahydro5Hindeno(12b)quinolin10yl)phenyl3(4nitrophenyl)acrylate
355824269
4(77dimethyl911dioxo67891011hexahydro5Hindeno(12b)quinolin10yl)phenyl(2E)3(4nitrophenyl)prop2enoate
CC1(CC2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)OC(=O)C=CC6=CC=C(C=C6)(N+)(=O)(O))C(=O)C1)C
InChI=1SC33H26N2O6c133(2)172529(26(36)1833)28(3031(3425)23534624(23)32(30)38)20101422(151120)4127(37)1691971221(13819)35(39)40h3162834H1718H212H3b169+
MFCD01954307
O=C(Oc1ccc(cc1)C1C2=C(NC3=C1C(=O)c1c3cccc1)CC(CC2=O)(C)C)C=Cc1ccc(cc1)(N+)(=O)(O)
ZINC000004391217
ZINC000004667321

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.