Vitas-M small molecule compound
4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-N-[1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]butanamide
Catalog ID
STL423716
SMILES CSCCC(c1nc2c(n1C)cccc2)NC(=O)CCCN1C(=O)c2c(C1=O)nccc2
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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 C23H25N5O3S MW 451.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O3S/c1-27-18-9-4-3-8-16(18)26-21(27)17(11-14-32-2)25-19(29)10-6-13-28-22(30)15-7-5-12-24-20(15)23(28)31/h3-5,7-9,12,17H,6,10-11,13-14H2,1-2H3,(H,25,29)InChIKey
XUIIZHNCWNFIQV-UHFFFAOYSA-NSynonyms
(S)4(57dioxo5Hpyrrolo(34b)pyridin6(7H)yl)N(1(1methyl1Hbenzo(d)imidazol2yl)3(methylthio)propyl)butanamide
4(57dioxo57dihydro6Hpyrrolo(34b)pyridin6yl)N(1(1methyl1Hbenzimidazol2yl)3(methylsulfanyl)propyl)butanamide
4(57dioxopyrrolo(34b)pyridin6yl)N(1(1methylbenzimidazol2yl)3methylsulfanylpropyl)butanamide
CN1C2=CC=CC=C2N=C1C(CCSC)NC(=O)CCCN3C(=O)C4=C(C3=O)N=CC=C4
CSCC(C@@H)(c1nc2c(n1C)cccc2)NC(=O)CCCN1C(=O)c2c(C1=O)nccc2
InChI=1SC23H25N5O3Sc12718943816(18)2621(27)17(1114322)2519(29)106132822(30)1575122420(15)23(28)31h35791217H610111314H212H3(H2529)
MFCD30708941
ZINC000218149731
ZINC000252571327
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