Vitas-M small molecule compound
ethyl 2-methyl-5-oxo-7-(thiophen-2-yl)-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK098501
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccsc1)C(=O)CC(C2)c1cccs1
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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 C21H21NO3S2 MW 399.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO3S2/c1-3-25-21(24)18-12(2)22-15-9-14(17-5-4-7-27-17)10-16(23)20(15)19(18)13-6-8-26-11-13/h4-8,11,14,19,22H,3,9-10H2,1-2H3InChIKey
PHTBMPLNBCTDOB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC2=C(C1c1ccsc1)C(=O)CC(C2)c1cccs1
CCOC(=O)C1=C(NC2=C(C1C3=CSC=C3)C(=O)CC(C2)C4=CC=CS4)C
ethyl2methyl5oxo7(thiophen2yl)4(thiophen3yl)145678hexahydroquinoline3carboxylate
ethyl2methyl5oxo7thiophen2yl4thiophen3yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC21H21NO3S2c132521(24)1812(2)2215914(175472717)1016(23)20(15)19(18)1368261113h4811141922H3910H212H3
MFCD02627373
STK098501
ZINC000004624609
ZINC000019867715
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