Vitas-M small molecule compound
2-[4-(3-chlorophenyl)-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
STK779470
SMILES N#Cc1c(sc2c1CCCCCC2)N1C(=O)CC(C2=C1CCCC2=O)c1cccc(c1)Cl
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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 C26H25ClN2O2S MW 465.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O2S/c27-17-8-5-7-16(13-17)19-14-24(31)29(21-10-6-11-22(30)25(19)21)26-20(15-28)18-9-3-1-2-4-12-23(18)32-26/h5,7-8,13,19H,1-4,6,9-12,14H2InChIKey
CLKJIBKPBBCXHA-UHFFFAOYSA-NSynonyms
2(4(3chlorophenyl)25dioxo345678hexahydroquinolin1(2H)yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
2(4(3chlorophenyl)25dioxo4678tetrahydro3Hquinolin1yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
C1CCCC2=C(CC1)C(=C(S2)N3C4=C(C(CC3=O)C5=CC(=CC=C5)Cl)C(=O)CCC4)C#N
InChI=1SC26H25ClN2O2Sc271785716(1317)191424(31)29(211061122(30)25(19)21)2620(1528)18931241223(18)3226h5781319H14691214H2
MFCD05858588
ZINC000001429679
ZINC000001429680
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