Vitas-M small molecule compound
2-[7,7-dimethyl-2,5-dioxo-4-(thiophen-3-yl)-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Catalog ID
STK780587
SMILES N#Cc1c(sc2c1CCCCC2)N1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1cscc1
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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 C25H26N2O2S2 MW 450.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O2S2/c1-25(2)11-19-23(20(28)12-25)17(15-8-9-30-14-15)10-22(29)27(19)24-18(13-26)16-6-4-3-5-7-21(16)31-24/h8-9,14,17H,3-7,10-12H2,1-2H3InChIKey
IHHBJHCBONLPSG-UHFFFAOYSA-NSynonyms
2(77dimethyl25dioxo4(thiophen3yl)345678hexahydroquinolin1(2H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
2(77dimethyl25dioxo4thiophen3yl3468tetrahydroquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
CC1(CC2=C(C(CC(=O)N2C3=C(C4=C(S3)CCCCC4)C#N)C5=CSC=C5)C(=O)C1)C
InChI=1SC25H26N2O2S2c125(2)111923(20(28)1225)17(1589301415)1022(29)27(19)2418(1326)166435721(16)3124h891417H371012H212H3
MFCD06013356
ZINC000001431759
ZINC000001431760
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