Vitas-M small molecule compound

2-[7,7-dimethyl-4-(3-methylthiophen-2-yl)-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
STK779422
SMILES N#Cc1c2CCCCCCc2sc1N1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1sccc1C

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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 C27H30N2O2S2 MW 478.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O2S2/c1-16-10-11-32-25(16)18-12-23(31)29(20-13-27(2,3)14-21(30)24(18)20)26-19(15-28)17-8-6-4-5-7-9-22(17)33-26/h10-11,18H,4-9,12-14H2,1-3H3
InChIKey
SHEFNTZMJXUJOX-UHFFFAOYSA-N
Synonyms

2(77dimethyl4(3methylthiophen2yl)25dioxo345678hexahydroquinolin1(2H)yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
2(77dimethyl4(3methylthiophen2yl)25dioxo3468tetrahydroquinolin1yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
CC1=C(SC=C1)C2CC(=O)N(C3=C2C(=O)CC(C3)(C)C)C4=C(C5=C(S4)CCCCCC5)C#N
InChI=1SC27H30N2O2S2c11610113225(16)181223(31)29(201327(23)1421(30)24(18)20)2619(1528)1786457922(17)3326h101118H491214H213H3
MFCD05858540
ZINC000012463222
ZINC000012463223

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Available files

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