Vitas-M small molecule compound
2-[4-(2-ethoxyphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Catalog ID
STK779508
SMILES CCOc1ccccc1C1CC(=O)N(C2=C1C(=O)CCC2)c1sc2c(c1C#N)CCCCCC2
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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 C28H30N2O3S MW 474.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O3S/c1-2-33-24-14-8-7-10-18(24)20-16-26(32)30(22-12-9-13-23(31)27(20)22)28-21(17-29)19-11-5-3-4-6-15-25(19)34-28/h7-8,10,14,20H,2-6,9,11-13,15-16H2,1H3InChIKey
RFFNMTYICGIMPO-UHFFFAOYSA-NSynonyms
2(4(2ethoxyphenyl)25dioxo345678hexahydroquinolin1(2H)yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
2(4(2ethoxyphenyl)25dioxo4678tetrahydro3Hquinolin1yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
CCOC1=CC=CC=C1C2CC(=O)N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCCCC5)C#N
InChI=1SC28H30N2O3Sc12332414871018(24)201626(32)30(221291323(31)27(20)22)2821(1729)191153461525(19)3428h78101420H26911131516H21H3
MFCD05858626
ZINC000001429764
ZINC000012412460
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