Vitas-M small molecule compound

propan-2-yl 7-(4-fluorophenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK406153
SMILES CSc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)F)NC(=C1C(=O)OC(C)C)C

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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 C27H28FNO3S MW 465.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28FNO3S/c1-15(2)32-27(31)24-16(3)29-22-13-19(17-5-9-20(28)10-6-17)14-23(30)26(22)25(24)18-7-11-21(33-4)12-8-18/h5-12,15,19,25,29H,13-14H2,1-4H3
InChIKey
FELMNAXECXXPQZ-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)SC)C(=O)OC(C)C
InChI=1SC27H28FNO3Sc115(2)3227(31)2416(3)29221319(175920(28)10617)1423(30)26(22)25(24)1871121(334)12818h51215192529H1314H214H3
MFCD05986743
propan2yl7(4fluorophenyl)2methyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxylate
propan2yl7(4fluorophenyl)2methyl4(4methylsulfanylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002844553
ZINC000020323318

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.