Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK405259
SMILES CC(Oc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC1CCCO1)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 C29H33NO5S MW 507.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO5S/c1-17(2)35-24-10-5-4-9-21(24)27-26(29(32)34-16-20-8-6-12-33-20)18(3)30-22-14-19(15-23(31)28(22)27)25-11-7-13-36-25/h4-5,7,9-11,13,17,19-20,27,30H,6,8,12,14-16H2,1-3H3InChIKey
PHSLRZRIHKCIII-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=CC=C4OC(C)C)C(=O)OCC5CCCO5
InChI=1SC29H33NO5Sc117(2)35241054921(24)2726(29(32)34162086123320)18(3)30221419(1523(31)28(22)27)25117133625h457911131719202730H68121416H213H3
MFCD03998912
oxolan2ylmethyl2methyl5oxo4(2propan2yloxyphenyl)7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl2methyl5oxo4(2(propan2yloxy)phenyl)7(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000020568839
ZINC000035913038
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