Vitas-M small molecule compound
dimethyl 2-amino-1-(3-fluorophenyl)-7-(4-methoxyphenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK683190
SMILES COC(=O)C1C(CC2=C(C1=O)C(c1cccnc1)C(=C(N2c1cccc(c1)F)N)C(=O)OC)c1ccc(cc1)OC
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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 C31H28FN3O6 MW 557.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28FN3O6/c1-39-21-11-9-17(10-12-21)22-15-23-26(28(36)25(22)30(37)40-2)24(18-6-5-13-34-16-18)27(31(38)41-3)29(33)35(23)20-8-4-7-19(32)14-20/h4-14,16,22,24-25H,15,33H2,1-3H3InChIKey
JACWXJLIHJVKQL-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)C2CC3=C(C(C(=C(N3C4=CC(=CC=C4)F)N)C(=O)OC)C5=CN=CC=C5)C(=O)C2C(=O)OC
dimethyl2amino1(3fluorophenyl)7(4methoxyphenyl)5oxo4(pyridin3yl)145678hexahydroquinoline36dicarboxylate
dimethyl2amino1(3fluorophenyl)7(4methoxyphenyl)5oxo4pyridin3yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC31H28FN3O6c1392111917(101221)22152326(28(36)25(22)30(37)402)24(186513341618)27(31(38)413)29(33)35(23)2084719(32)1420h41416222425H1533H213H3
MFCD05256989
ZINC000100156028
ZINC000100156040
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