Vitas-M small molecule compound
2-[4-(4-ethylphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Catalog ID
STK780884
SMILES CCc1ccc(cc1)C1CC(=O)N(C2=C1C(=O)CCC2)c1sc2c(c1C#N)CCCCC2
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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 C27H28N2O2S MW 444.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O2S/c1-2-17-11-13-18(14-12-17)20-15-25(31)29(22-8-6-9-23(30)26(20)22)27-21(16-28)19-7-4-3-5-10-24(19)32-27/h11-14,20H,2-10,15H2,1H3InChIKey
IJVGFXGSURVCEL-UHFFFAOYSA-NSynonyms
2(4(4ethylphenyl)25dioxo345678hexahydroquinolin1(2H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
2(4(4ethylphenyl)25dioxo4678tetrahydro3Hquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
CCC1=CC=C(C=C1)C2CC(=O)N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCCC5)C#N
InChI=1SC27H28N2O2Sc1217111318(141217)201525(31)29(2286923(30)26(20)22)2721(1628)1974351024(19)3227h111420H21015H21H3
MFCD06013977
ZINC000001432337
ZINC000001432338
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