Vitas-M small molecule compound
diethyl 2-amino-1-(3-fluorophenyl)-4-(4-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK682698
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1ccccc1)N(c1cccc(c1)F)C(=C(C2c1ccc(cc1)[N+](=O)[O-])C(=O)OCC)N
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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 C33H30FN3O7 MW 599.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30FN3O7/c1-3-43-32(39)27-24(19-9-6-5-7-10-19)18-25-28(30(27)38)26(20-13-15-22(16-14-20)37(41)42)29(33(40)44-4-2)31(35)36(25)23-12-8-11-21(34)17-23/h5-17,24,26-27H,3-4,18,35H2,1-2H3InChIKey
AERKSHSLNAQWEZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(=O)C2=C(CC1c1ccccc1)N(c1cccc(c1)F)C(=C(C2c1ccc(cc1)(N+)(=O)(O))C(=O)OCC)N
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC(=CC=C3)F)N)C(=O)OCC)C4=CC=C(C=C4)(N+)(=O)(O))C5=CC=CC=C5
diethyl2amino1(3fluorophenyl)4(4nitrophenyl)5oxo7phenyl145678hexahydroquinoline36dicarboxylate
diethyl2amino1(3fluorophenyl)4(4nitrophenyl)5oxo7phenyl4678tetrahydroquinoline36dicarboxylate
InChI=1SC33H30FN3O7c134332(39)2724(1996571019)182528(30(27)38)26(20131522(161420)37(41)42)29(33(40)4442)31(35)36(25)231281121(34)1723h517242627H341835H212H3
MFCD04060507
ZINC000003629007
ZINC000100150864
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