Vitas-M small molecule compound
propan-2-yl 2-methyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK007208
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1cccs1)C(=O)CCC2)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 C18H21NO3S MW 331.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO3S/c1-10(2)22-18(21)15-11(3)19-12-6-4-7-13(20)16(12)17(15)14-8-5-9-23-14/h5,8-10,17,19H,4,6-7H2,1-3H3InChIKey
BUWFHEWUOJLLPD-UHFFFAOYSA-NSynonyms
CC(OC(=O)C1=C(C)NC2=C(C1c1cccs1)C(=O)CCC2)C
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CS3)C(=O)OC(C)C
InChI=1SC18H21NO3Sc110(2)2218(21)1511(3)191264713(20)16(12)17(15)148592314h58101719H467H213H3
MFCD00771044
propan2yl2methyl5oxo4(thiophen2yl)145678hexahydroquinoline3carboxylate
propan2yl2methyl5oxo4thiophen2yl4678tetrahydro1Hquinoline3carboxylate
STK007208
ZINC000100564346
ZINC000100564347
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