Vitas-M small molecule compound
2-amino-4-(5-tert-butylthiophen-2-yl)-1-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK768850
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)C(C)(C)C)C(=O)CC(C2)(C)C)c1c(F)cccc1F
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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 C26H27F2N3OS MW 467.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27F2N3OS/c1-25(2,3)20-10-9-19(33-20)21-14(13-29)24(30)31(23-15(27)7-6-8-16(23)28)17-11-26(4,5)12-18(32)22(17)21/h6-10,21H,11-12,30H2,1-5H3InChIKey
YDFCIHFQOGOXOZ-UHFFFAOYSA-NSynonyms
2amino4(5tertbutylthiophen2yl)1(26difluorophenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(5TERTBUTYLTHIOPHEN2YL)1(26DIFLUOROPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=C(C=CC=C3F)F)N)C#N)C4=CC=C(S4)C(C)(C)C)C(=O)C1)C
InChI=1SC26H27F2N3OSc125(23)2010919(3320)2114(1329)24(30)31(2315(27)76816(23)28)171126(45)1218(32)22(17)21h61021H111230H215H3
MFCD03308265
ZINC000002192347
ZINC000002192348
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