Vitas-M small molecule compound
dimethyl 2-amino-1-(3-fluorophenyl)-5-oxo-7-phenyl-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK684949
SMILES COC(=O)C1C(CC2=C(C1=O)C(c1ccsc1)C(=C(N2c1cccc(c1)F)N)C(=O)OC)c1ccccc1
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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 C29H25FN2O5S MW 532.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25FN2O5S/c1-36-28(34)23-20(16-7-4-3-5-8-16)14-21-24(26(23)33)22(17-11-12-38-15-17)25(29(35)37-2)27(31)32(21)19-10-6-9-18(30)13-19/h3-13,15,20,22-23H,14,31H2,1-2H3InChIKey
OFSDVRCUTGJGQG-UHFFFAOYSA-NSynonyms
COC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC(=CC=C3)F)N)C(=O)OC)C4=CSC=C4)C5=CC=CC=C5
dimethyl2amino1(3fluorophenyl)5oxo7phenyl4(thiophen3yl)145678hexahydroquinoline36dicarboxylate
dimethyl2amino1(3fluorophenyl)5oxo7phenyl4thiophen3yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC29H25FN2O5Sc13628(34)2320(167435816)142124(26(23)33)22(171112381517)25(29(35)372)27(31)32(21)19106918(30)1319h31315202223H1431H212H3
MFCD05856631
ZINC000001427542
ZINC000103015625
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