Vitas-M small molecule compound

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

Catalog ID
STK776132
SMILES N#CC1=C(N)N(C2=C(C1c1cccnc1)C(=O)CC(C2)(C)C)c1nnc(s1)SCc1ccc(cc1)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 C27H26N6OS2 MW 514.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N6OS2/c1-16-6-8-17(9-7-16)15-35-26-32-31-25(36-26)33-20-11-27(2,3)12-21(34)23(20)22(19(13-28)24(33)29)18-5-4-10-30-14-18/h4-10,14,22H,11-12,15,29H2,1-3H3
InChIKey
YNNRCPJBYRFQHC-UHFFFAOYSA-N
Synonyms

2amino77dimethyl1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)5oxo4(pyridin3yl)145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)5OXO4PYRIDIN3YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=CC=C(C=C1)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CN=CC=C5)C(=O)CC(C4)(C)C
InChI=1SC27H26N6OS2c1166817(9716)153526323125(3626)33201127(23)1221(34)23(20)22(19(1328)24(33)29)185410301418h4101422H11121529H213H3
MFCD05258545
ZINC000012447718
ZINC000012447719

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Available files

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