Vitas-M small molecule compound

2-amino-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK683680
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2ccccc2Cl)C2=C(C1c1ccccc1Cl)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 C27H23Cl2N5OS2 MW 568.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23Cl2N5OS2/c1-27(2)11-20-23(21(35)12-27)22(16-8-4-6-10-19(16)29)17(13-30)24(31)34(20)25-32-33-26(37-25)36-14-15-7-3-5-9-18(15)28/h3-10,22H,11-12,14,31H2,1-2H3
InChIKey
HWOMAGDJWBHPAL-UHFFFAOYSA-N
Synonyms

2amino1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)4(2chlorophenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(2CHLOROPHENYL)1(5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC4=CC=CC=C4Cl)N)C#N)C5=CC=CC=C5Cl)C(=O)C1)C
InChI=1SC27H23Cl2N5OS2c127(2)112023(21(35)1227)22(168461019(16)29)17(1330)24(31)34(20)25323326(3725)361415735918(15)28h31022H11121431H212H3
MFCD05258538
ZINC000098006206
ZINC000098006207

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Available files

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