Vitas-M small molecule compound

dimethyl 2-amino-1-(3-fluorophenyl)-7-(4-methoxyphenyl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK684950
SMILES COC(=O)C1C(CC2=C(C1=O)C(c1ccsc1)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/c1-37-20-9-7-16(8-10-20)21-14-22-25(27(34)24(21)29(35)38-2)23(17-11-12-40-15-17)26(30(36)39-3)28(32)33(22)19-6-4-5-18(31)13-19/h4-13,15,21,23-24H,14,32H2,1-3H3
InChIKey
HUIQBJDTHSNBHC-UHFFFAOYSA-N
Synonyms

COC1=CC=C(C=C1)C2CC3=C(C(C(=C(N3C4=CC(=CC=C4)F)N)C(=O)OC)C5=CSC=C5)C(=O)C2C(=O)OC
dimethyl2amino1(3fluorophenyl)7(4methoxyphenyl)5oxo4(thiophen3yl)145678hexahydroquinoline36dicarboxylate
dimethyl2amino1(3fluorophenyl)7(4methoxyphenyl)5oxo4thiophen3yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC30H27FN2O6Sc137209716(81020)21142225(27(34)24(21)29(35)382)23(171112401517)26(30(36)393)28(32)33(22)1964518(31)1319h41315212324H1432H213H3
MFCD05856632
ZINC000001427543
ZINC000100173693

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Available files

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