Vitas-M small molecule compound
2-amino-4-(5-tert-butylthiophen-2-yl)-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK758519
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)C(C)(C)C)C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCC2
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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 C29H32N4OS2 MW 516.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4OS2/c1-28(2,3)23-11-10-22(35-23)24-18(15-31)26(32)33(19-12-29(4,5)13-20(34)25(19)24)27-17(14-30)16-8-6-7-9-21(16)36-27/h10-11,24H,6-9,12-13,32H2,1-5H3InChIKey
IMKWMNYNSNFYFE-UHFFFAOYSA-NSynonyms
2amino4(5tertbutylthiophen2yl)1(3cyano4567tetrahydro1benzothiophen2yl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2amino4(5tertbutylthiophen2yl)1(3cyano4567tetrahydro1benzothiophen2yl)77dimethyl5oxo68dihydro4Hquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCC4)C#N)N)C#N)C5=CC=C(S5)C(C)(C)C)C(=O)C1)C
InChI=1SC29H32N4OS2c128(23)23111022(3523)2418(1531)26(32)33(191229(45)1320(34)25(19)24)2717(1430)16867921(16)3627h101124H69121332H215H3
MFCD01414958
ZINC000002188807
ZINC000002188808
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