Vitas-M small molecule compound
ethyl 2-[2-amino-4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK757384
SMILES CCOC(=O)c1c(sc2c1CCCC2)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1ccc(cc1)Br)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 C29H30BrN3O3S MW 580.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30BrN3O3S/c1-4-36-28(35)24-18-7-5-6-8-22(18)37-27(24)33-20-13-29(2,3)14-21(34)25(20)23(19(15-31)26(33)32)16-9-11-17(30)12-10-16/h9-12,23H,4-8,13-14,32H2,1-3H3InChIKey
KGTPLYHSGOJNDH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)Br)C(=O)CC(C4)(C)C
ethyl2(2amino4(4bromophenyl)3cyano77dimethyl5oxo5678tetrahydroquinolin1(4H)yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2amino4(4bromophenyl)3cyano77dimethyl5oxo68dihydro4Hquinolin1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H30BrN3O3Sc143628(35)2418756822(18)3727(24)33201329(23)1421(34)25(20)23(19(1531)26(33)32)1691117(30)121016h91223H48131432H213H3
MFCD01305876
ZINC000003664915
ZINC000003664916
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