Vitas-M small molecule compound
3-amino-1,1-bis(butylsulfanyl)-4-phenyl-4,5,6,7,8,9-hexahydro-1H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile
Catalog ID
STK537722
SMILES CCCCSC1(SCCCC)N=C(C2(C1(C#N)C1=C(CCCC1)NC2c1ccccc1)C#N)N
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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 C27H35N5S2 MW 493.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N5S2/c1-3-5-16-33-27(34-17-6-4-2)26(19-29)21-14-10-11-15-22(21)31-23(20-12-8-7-9-13-20)25(26,18-28)24(30)32-27/h7-9,12-13,23,31H,3-6,10-11,14-17H2,1-2H3,(H2,30,32)InChIKey
JSRDAVDOPIOHGL-UHFFFAOYSA-NSynonyms
200881-72-7200881727
3amino11bis(butylsulfanyl)4phenyl456789hexahydro1Hpyrrolo(34c)quinoline3a9bdicarbonitrile
3amino11bis(butylsulfanyl)4phenyl456789hexahydropyrrolo(34c)quinoline3a9bdicarbonitrile
3amino11bis(butylthio)4phenyl3a4567899boctahydro1Hpyrrolo(34c)quinoline3a9bdicarbonitrile
CCCCSC1(C2(C3=C(CCCC3)NC(C2(C(=N1)N)C#N)C4=CC=CC=C4)C#N)SCCCC
InChI=1SC27H35N5S2c135163327(3417642)26(1929)211410111522(21)3123(20128791320)25(261828)24(30)3227h7912132331H3610111417H212H3(H23032)
MFCD02998840
ZINC000013810543
ZINC000226950926
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