Vitas-M small molecule compound
2-amino-7,7-dimethyl-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
STK778694
SMILES N#CC1=C(N)N(C2=C(C1c1cnc3c(n1)cccc3)C(=O)CC(C2)(C)C)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 C25H25N7OS2 MW 503.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N7OS2/c1-13(2)34-24-31-30-23(35-24)32-18-9-25(3,4)10-19(33)21(18)20(14(11-26)22(32)27)17-12-28-15-7-5-6-8-16(15)29-17/h5-8,12-13,20H,9-10,27H2,1-4H3InChIKey
SHCYQLDOSAHVEJ-UHFFFAOYSA-NSynonyms
2amino77dimethyl5oxo1(5(propan2ylsulfanyl)134thiadiazol2yl)4(quinoxalin2yl)145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL5OXO1(5PROPAN2YLSULFANYL134THIADIAZOL2YL)4QUINOXALIN2YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC(C)SC1=NN=C(S1)N2C3=C(C(C(=C2N)C#N)C4=NC5=CC=CC=C5N=C4)C(=O)CC(C3)(C)C
InChI=1SC25H25N7OS2c113(2)3424313023(3524)3218925(34)1019(33)21(18)20(14(1126)22(32)27)17122815756816(15)2917h58121320H91027H214H3
MFCD05856993
ZINC000012401697
ZINC000012401698
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