Vitas-M small molecule compound
propan-2-yl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402761
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)C)C(=O)CC(C2)c1cccs1)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 C28H27NO5S MW 489.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO5S/c1-14(2)34-28(32)24-16(4)29-20-11-17(23-6-5-9-35-23)12-21(30)26(20)25(24)19-13-33-22-8-7-15(3)10-18(22)27(19)31/h5-10,13-14,17,25,29H,11-12H2,1-4H3InChIKey
JBPQQTUFYUHJOS-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)OC=C(C2=O)C3C4=C(CC(CC4=O)C5=CC=CS5)NC(=C3C(=O)OC(C)C)C
InChI=1SC28H27NO5Sc114(2)3428(32)2416(4)29201117(236593523)1221(30)26(20)25(24)191333228715(3)1018(22)27(19)31h5101314172529H1112H214H3
MFCD02868464
propan2yl2methyl4(6methyl4oxo4Hchromen3yl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
propan2yl2methyl4(6methyl4oxochromen3yl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
ZINC000008856120
ZINC000008857102
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