Vitas-M small molecule compound

diethyl 2-amino-1-(2,4-difluorophenyl)-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK684885
SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)C(C(=O)OCC)C(C2)c1cccs1)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 C31H27F2N3O7S MW 623.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27F2N3O7S/c1-3-42-30(38)25-19(23-9-6-12-44-23)15-22-26(28(25)37)24(16-7-5-8-18(13-16)36(40)41)27(31(39)43-4-2)29(34)35(22)21-11-10-17(32)14-20(21)33/h5-14,19,24-25H,3-4,15,34H2,1-2H3
InChIKey
YCLXLRHBBSQOFU-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N)N(C2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)C(C(=O)OCC)C(C2)c1cccs1)c1ccc(cc1F)F
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=C(C=C(C=C3)F)F)N)C(=O)OCC)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=CS5
diethyl2amino1(24difluorophenyl)4(3nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
diethyl2amino1(24difluorophenyl)4(3nitrophenyl)5oxo7thiophen2yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC31H27F2N3O7Sc134230(38)2519(2396124423)152226(28(25)37)24(1675818(1316)36(40)41)27(31(39)4342)29(34)35(22)21111017(32)1420(21)33h514192425H341534H212H3
MFCD05856455
ZINC000100172875
ZINC000230033839

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Available files

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