Vitas-M small molecule compound
ethyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK757381
SMILES CCOC(=O)c1c(sc2c1CCCC2)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1ccccc1)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 C29H31N3O3S MW 501.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3S/c1-4-35-28(34)24-18-12-8-9-13-22(18)36-27(24)32-20-14-29(2,3)15-21(33)25(20)23(19(16-30)26(32)31)17-10-6-5-7-11-17/h5-7,10-11,23H,4,8-9,12-15,31H2,1-3H3InChIKey
NQTZUVDKYKHRLA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC=CC=C5)C(=O)CC(C4)(C)C
ethyl2(2amino3cyano77dimethyl5oxo4phenyl5678tetrahydroquinolin1(4H)yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2amino3cyano77dimethyl5oxo4phenyl68dihydro4Hquinolin1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H31N3O3Sc143528(34)241812891322(18)3627(24)32201429(23)1521(33)25(20)23(19(1630)26(32)31)17106571117h57101123H489121531H213H3
MFCD01305872
ZINC000003664909
ZINC000003664910
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