Vitas-M small molecule compound
dimethyl 2-amino-1-(3-fluorophenyl)-7-(4-methoxyphenyl)-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK684718
SMILES COC(=O)C1C(CC2=C(C1=O)C(c1cccs1)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 C30H27FN2O6S MW 562.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27FN2O6S/c1-37-19-11-9-16(10-12-19)20-15-21-24(27(34)23(20)29(35)38-2)25(22-8-5-13-40-22)26(30(36)39-3)28(32)33(21)18-7-4-6-17(31)14-18/h4-14,20,23,25H,15,32H2,1-3H3InChIKey
BUDLOSMADGGPHA-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)C2CC3=C(C(C(=C(N3C4=CC(=CC=C4)F)N)C(=O)OC)C5=CC=CS5)C(=O)C2C(=O)OC
dimethyl2amino1(3fluorophenyl)7(4methoxyphenyl)5oxo4(thiophen2yl)145678hexahydroquinoline36dicarboxylate
dimethyl2amino1(3fluorophenyl)7(4methoxyphenyl)5oxo4thiophen2yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC30H27FN2O6Sc1371911916(101219)20152124(27(34)23(20)29(35)382)25(2285134022)26(30(36)393)28(32)33(21)1874617(31)1418h414202325H1532H213H3
MFCD05855836
ZINC000001426855
ZINC000100171967
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