Vitas-M small molecule compound
2-amino-4-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK684965
SMILES N#CC1=C(N)N(c2nnc(s2)SC(C)C)C2=C(C1c1c(C)nn(c1C)c1ccccc1)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 C28H31N7OS2 MW 545.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N7OS2/c1-15(2)37-27-32-31-26(38-27)34-20-12-28(5,6)13-21(36)24(20)23(19(14-29)25(34)30)22-16(3)33-35(17(22)4)18-10-8-7-9-11-18/h7-11,15,23H,12-13,30H2,1-6H3InChIKey
NIGBJKMTIJAWEQ-UHFFFAOYSA-NSynonyms
2amino4(35dimethyl1phenyl1Hpyrazol4yl)77dimethyl5oxo1(5(propan2ylsulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile
2AMINO4(35DIMETHYL1PHENYLPYRAZOL4YL)77DIMETHYL5OXO1(5PROPAN2YLSULFANYL134THIADIAZOL2YL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=NN=C(S5)SC(C)C)N)C#N
InChI=1SC28H31N7OS2c115(2)3727323126(3827)34201228(56)1321(36)24(20)23(19(1429)25(34)30)2216(3)3335(17(22)4)18108791118h7111523H121330H216H3
MFCD05856676
ZINC000098007240
ZINC000098007241
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