Vitas-M small molecule compound
ethyl 2-[2-amino-4-(5-bromothiophen-2-yl)-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
STK757320
SMILES CCOC(=O)c1c(sc2c1CCCC2)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1ccc(s1)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 C27H28BrN3O3S2 MW 586.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28BrN3O3S2/c1-4-34-26(33)22-14-7-5-6-8-18(14)36-25(22)31-16-11-27(2,3)12-17(32)23(16)21(15(13-29)24(31)30)19-9-10-20(28)35-19/h9-10,21H,4-8,11-12,30H2,1-3H3InChIKey
XJZQDOQEOLMGHF-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(S5)Br)C(=O)CC(C4)(C)C
ethyl2(2amino4(5bromothiophen2yl)3cyano77dimethyl5oxo5678tetrahydroquinolin1(4H)yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2amino4(5bromothiophen2yl)3cyano77dimethyl5oxo68dihydro4Hquinolin1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H28BrN3O3S2c143426(33)2214756818(14)3625(22)31161127(23)1217(32)23(16)21(15(1329)24(31)30)1991020(28)3519h91021H48111230H213H3
MFCD01240673
ZINC000002188780
ZINC000002188781
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