Vitas-M small molecule compound

2-[7,7-dimethyl-4-(3-methylphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Catalog ID
STK779395
SMILES N#Cc1c(sc2c1CCCC2)N1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1cccc(c1)C

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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/c1-16-7-6-8-17(11-16)19-12-24(31)29(21-13-27(2,3)14-22(30)25(19)21)26-20(15-28)18-9-4-5-10-23(18)32-26/h6-8,11,19H,4-5,9-10,12-14H2,1-3H3
InChIKey
QTVPNSUSRZFCHD-UHFFFAOYSA-N
Synonyms

2(77dimethyl4(3methylphenyl)25dioxo345678hexahydroquinolin1(2H)yl)4567tetrahydro1benzothiophene3carbonitrile
2(77dimethyl4(3methylphenyl)25dioxo3468tetrahydroquinolin1yl)4567tetrahydro1benzothiophene3carbonitrile
CC1=CC=CC(=C1)C2CC(=O)N(C3=C2C(=O)CC(C3)(C)C)C4=C(C5=C(S4)CCCC5)C#N
InChI=1SC27H28N2O2Sc11676817(1116)191224(31)29(211327(23)1422(30)25(19)21)2620(1528)189451023(18)3226h681119H459101214H213H3
MFCD05858513
ZINC000001429562
ZINC000001429563

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Available files

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