Vitas-M small molecule compound
2-amino-4-(5-tert-butylthiophen-2-yl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK755040
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)C(C)(C)C)C(=O)CC(C2)(C)C)c1ccc(cc1)OC
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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 C27H31N3O2S MW 461.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O2S/c1-26(2,3)22-12-11-21(33-22)23-18(15-28)25(29)30(16-7-9-17(32-6)10-8-16)19-13-27(4,5)14-20(31)24(19)23/h7-12,23H,13-14,29H2,1-6H3InChIKey
YSGJICMERDHBRE-UHFFFAOYSA-NSynonyms
311327-29-42amino4(5tertbutylthiophen2yl)1(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(5TERTBUTYLTHIOPHEN2YL)1(4METHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
311327294
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)OC)N)C#N)C4=CC=C(S4)C(C)(C)C)C(=O)C1)C
InChI=1SC27H31N3O2Sc126(23)22121121(3322)2318(1528)25(29)30(167917(326)10816)191327(45)1420(31)24(19)23h71223H131429H216H3
MFCD00827206
ZINC000001057853
ZINC000001057855
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