Vitas-M small molecule compound

ethyl 1-(2,4-difluorophenyl)-4-(3-nitrophenyl)-2,5-dioxo-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate

Catalog ID
STK686081
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(C(=O)CC2c1cccc(c1)[N+](=O)[O-])c1ccc(cc1F)F

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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 C28H22F2N2O6S MW 552.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22F2N2O6S/c1-2-38-28(35)26-19(23-7-4-10-39-23)13-22-25(27(26)34)18(15-5-3-6-17(11-15)32(36)37)14-24(33)31(22)21-9-8-16(29)12-20(21)30/h3-12,18-19,26H,2,13-14H2,1H3
InChIKey
PSWBFDRDTQPVAK-UHFFFAOYSA-N
Synonyms
CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(C(=O)CC2c1cccc(c1)(N+)(=O)(O))c1ccc(cc1F)F
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2C3=C(C=C(C=C3)F)F)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=CS5
ethyl1(24difluorophenyl)4(3nitrophenyl)25dioxo7(thiophen2yl)12345678octahydroquinoline6carboxylate
ethyl1(24difluorophenyl)4(3nitrophenyl)25dioxo7thiophen2yl4678tetrahydro3Hquinoline6carboxylate
Registry IDs
MFCD06014475
ZINC000098007821
ZINC000103019739

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Available files

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