Vitas-M small molecule compound
2-amino-5-oxo-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(quinoxalin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK778695
SMILES N#CC1=C(N)N(C2=C(C1c1cnc3c(n1)cccc3)C(=O)CCC2)c1nnc(s1)SC(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 C23H21N7OS2 MW 475.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N7OS2/c1-12(2)32-23-29-28-22(33-23)30-17-8-5-9-18(31)20(17)19(13(10-24)21(30)25)16-11-26-14-6-3-4-7-15(14)27-16/h3-4,6-7,11-12,19H,5,8-9,25H2,1-2H3InChIKey
ICWLRUCRRCIBGI-UHFFFAOYSA-NSynonyms
2amino5oxo1(5(propan2ylsulfanyl)134thiadiazol2yl)4(quinoxalin2yl)145678hexahydroquinoline3carbonitrile
2amino5oxo1(5propan2ylsulfanyl134thiadiazol2yl)4quinoxalin2yl4678tetrahydroquinoline3carbonitrile
CC(C)SC1=NN=C(S1)N2C3=C(C(C(=C2N)C#N)C4=NC5=CC=CC=C5N=C4)C(=O)CCC3
InChI=1SC23H21N7OS2c112(2)3223292822(3323)301785918(31)20(17)19(13(1024)21(30)25)16112614634715(14)2716h3467111219H58925H212H3
MFCD05856994
ZINC000012401699
ZINC000012401700
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