Vitas-M small molecule compound
propan-2-yl 2-methyl-4-(naphthalen-2-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK405260
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)cccc3)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 C28H27NO3S MW 457.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO3S/c1-16(2)32-28(31)25-17(3)29-22-14-21(24-9-6-12-33-24)15-23(30)27(22)26(25)20-11-10-18-7-4-5-8-19(18)13-20/h4-13,16,21,26,29H,14-15H2,1-3H3InChIKey
GMDWCMAIYKZRIZ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC5=CC=CC=C5C=C4)C(=O)OC(C)C
InChI=1SC28H27NO3Sc116(2)3228(31)2517(3)29221421(2496123324)1523(30)27(22)26(25)20111018745819(18)1320h41316212629H1415H213H3
MFCD03998919
propan2yl2methyl4(naphthalen2yl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
propan2yl2methyl4naphthalen2yl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
ZINC000001148884
ZINC000001148892
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