Vitas-M small molecule compound

2-amino-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-4-[4-(1H-1,2,4-triazol-1-ylmethyl)thiophen-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK783141
SMILES N#CC1=C(N)N(c2ccc(cc2)Cl)C2=C(C1c1scc(c1)Cn1ncnc1)C(=O)CC(C2)(C)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 C25H23ClN6OS MW 491.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN6OS/c1-25(2)8-19-23(20(33)9-25)22(21-7-15(12-34-21)11-31-14-29-13-30-31)18(10-27)24(28)32(19)17-5-3-16(26)4-6-17/h3-7,12-14,22H,8-9,11,28H2,1-2H3
InChIKey
XVWGJONPUOEATO-UHFFFAOYSA-N
Synonyms

2AMINO1(4CHLOROPHENYL)77DIMETHYL5OXO4(4(124TRIAZOL1YLMETHYL)THIOPHEN2YL)68DIHYDRO4HQUINOLINE3CARBONITRILE
2amino1(4chlorophenyl)77dimethyl5oxo4(4(1H124triazol1ylmethyl)thiophen2yl)145678hexahydroquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)Cl)N)C#N)C4=CC(=CS4)CN5C=NC=N5)C(=O)C1)C
InChI=1SC25H23ClN6OSc125(2)81923(20(33)925)22(21715(123421)11311429133031)18(1027)24(28)32(19)175316(26)4617h37121422H891128H212H3
MFCD06617583
ZINC000012402306
ZINC000012402307

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Available files

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