Vitas-M small molecule compound
2-[4-(3-methoxyphenyl)-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
STK779471
SMILES COc1cccc(c1)C1CC(=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 C27H28N2O3S MW 460.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O3S/c1-32-18-9-6-8-17(14-18)20-15-25(31)29(22-11-7-12-23(30)26(20)22)27-21(16-28)19-10-4-2-3-5-13-24(19)33-27/h6,8-9,14,20H,2-5,7,10-13,15H2,1H3InChIKey
DYBWGHMGWISPAM-UHFFFAOYSA-NSynonyms
2(4(3methoxyphenyl)25dioxo345678hexahydroquinolin1(2H)yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
2(4(3methoxyphenyl)25dioxo4678tetrahydro3Hquinolin1yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
COC1=CC=CC(=C1)C2CC(=O)N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCCCC5)C#N
InChI=1SC27H28N2O3Sc1321896817(1418)201525(31)29(221171223(30)26(20)22)2721(1628)191042351324(19)3327h6891420H257101315H21H3
MFCD05858589
ZINC000001429681
ZINC000001429682
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