Vitas-M small molecule compound
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK758242
SMILES N#Cc1c(sc2c1CCCCC2)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 C26H26N4OS2 MW 474.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4OS2/c1-26(2)11-18-23(19(31)12-26)22(21-9-6-10-32-21)17(14-28)24(29)30(18)25-16(13-27)15-7-4-3-5-8-20(15)33-25/h6,9-10,22H,3-5,7-8,11-12,29H2,1-2H3InChIKey
QEORQWYJYYHCPR-UHFFFAOYSA-NSynonyms
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)77dimethyl5oxo4(thiophen2yl)145678hexahydroquinoline3carbonitrile
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)77dimethyl5oxo4thiophen2yl68dihydro4Hquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCCC4)C#N)N)C#N)C5=CC=CS5)C(=O)C1)C
InChI=1SC26H26N4OS2c126(2)111823(19(31)1226)22(2196103221)17(1428)24(29)30(18)2516(1327)157435820(15)3325h691022H3578111229H212H3
MFCD01414959
ZINC000002188813
ZINC000002188814
ZINC02188813
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