Vitas-M small molecule compound
ethyl 2-[2-amino-4-(5-tert-butylthiophen-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
STK757324
SMILES CCOC(=O)c1c(sc2c1CCCC2)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1ccc(s1)C(C)(C)C)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 C31H37N3O3S2 MW 563.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N3O3S2/c1-7-37-29(36)25-17-10-8-9-11-21(17)39-28(25)34-19-14-31(5,6)15-20(35)26(19)24(18(16-32)27(34)33)22-12-13-23(38-22)30(2,3)4/h12-13,24H,7-11,14-15,33H2,1-6H3InChIKey
UTAOUOZUGRIAAB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(S5)C(C)(C)C)C(=O)CC(C4)(C)C
ethyl2(2amino4(5tertbutylthiophen2yl)3cyano77dimethyl5oxo5678tetrahydroquinolin1(4H)yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2amino4(5tertbutylthiophen2yl)3cyano77dimethyl5oxo68dihydro4Hquinolin1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC31H37N3O3S2c173729(36)251710891121(17)3928(25)34191431(56)1520(35)26(19)24(18(1632)27(34)33)22121323(3822)30(23)4h121324H711141533H216H3
MFCD01240685
ZINC000002188833
ZINC000002188834
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