Vitas-M small molecule compound

N-[(2S)-1-[(1,3-benzodioxol-5-ylmethyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole-1-carboxamide

Catalog ID
STK604398
SMILES CSCC[C@@H](C(=O)NCc1ccc2c(c1)OCO2)NC(=O)N1CCn2c1nc1c2cccc1

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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 C23H25N5O4S MW 467.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O4S/c1-33-11-8-17(21(29)24-13-15-6-7-19-20(12-15)32-14-31-19)26-23(30)28-10-9-27-18-5-3-2-4-16(18)25-22(27)28/h2-7,12,17H,8-11,13-14H2,1H3,(H,24,29)(H,26,30)/t17-/m0/s1
InChIKey
KGBGEZSIRGTCGA-KRWDZBQOSA-N
Synonyms
1014085-42-7
(S)N(1((benzo(d)(13)dioxol5ylmethyl)amino)4(methylthio)1oxobutan2yl)23dihydro1Hbenzo(d)imidazo(12a)imidazole1carboxamide
1014085427
CSCC(C@@H)(C(=O)NCc1ccc2c(c1)OCO2)NC(=O)N1CCn2c1nc1c2cccc1
CSCCC(C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)N3CCN4C3=NC5=CC=CC=C54
InChI=1SC23H25N5O4Sc13311817(21(29)241315671920(1215)32143119)2623(30)281092718532416(18)2522(27)28h271217H8111314H21H3(H2429)(H2630)t17m0s1
MFCD08287535
N((2S)1((13benzodioxol5ylmethyl)amino)4(methylsulfanyl)1oxobutan2yl)23dihydro1Himidazo(12a)benzimidazole1carboxamide
N((2S)1(13benzodioxol5ylmethylamino)4methylsulfanyl1oxobutan2yl)12dihydroimidazo(12a)benzimidazole3carboxamide
ZINC000009410941
ZINC09410941
ZINC9410941

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.