Vitas-M small molecule compound
ethyl 2-[2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK757383
SMILES CCOC(=O)c1c(sc2c1CCCC2)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1cccs1)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 C27H29N3O3S2 MW 507.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O3S2/c1-4-33-26(32)22-15-8-5-6-9-19(15)35-25(22)30-17-12-27(2,3)13-18(31)23(17)21(16(14-28)24(30)29)20-10-7-11-34-20/h7,10-11,21H,4-6,8-9,12-13,29H2,1-3H3InChIKey
ZUXHTSCTXMCWRV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC=CS5)C(=O)CC(C4)(C)C
ethyl2(2amino3cyano77dimethyl5oxo4(thiophen2yl)5678tetrahydroquinolin1(4H)yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2amino3cyano77dimethyl5oxo4thiophen2yl68dihydro4Hquinolin1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H29N3O3S2c143326(32)2215856919(15)3525(22)30171227(23)1318(31)23(17)21(16(1428)24(30)29)20107113420h7101121H4689121329H213H3
MFCD01305874
ZINC000003664911
ZINC000003664912
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