Vitas-M small molecule compound
ethyl 2-{2-amino-3-cyano-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK758502
SMILES CCOC(=O)c1c(sc2c1CCCCC2)N1C(=C(C#N)C(C2=C1CCCC2=O)c1ccc(cc1)SC)N
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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 C29H31N3O3S2 MW 533.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3S2/c1-3-35-29(34)25-19-8-5-4-6-11-23(19)37-28(25)32-21-9-7-10-22(33)26(21)24(20(16-30)27(32)31)17-12-14-18(36-2)15-13-17/h12-15,24H,3-11,31H2,1-2H3InChIKey
YQKHPOROJOVSFJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)SC)C(=O)CCC4
ethyl2(2amino3cyano4(4(methylsulfanyl)phenyl)5oxo5678tetrahydroquinolin1(4H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(2amino3cyano4(4methylsulfanylphenyl)5oxo4678tetrahydroquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC29H31N3O3S2c133529(34)251985461123(19)3728(25)3221971022(33)26(21)24(20(1630)27(32)31)17121418(362)151317h121524H31131H212H3
MFCD01465166
ZINC000003666726
ZINC000003666727
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