Vitas-M small molecule compound

1,3-bis{2-hydroxy-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-1,3-dihydro-2H-benzimidazol-2-one

Catalog ID
STL565109
SMILES OC(Cn1c(=O)n(c2c1cccc2)CC(CN1CCN(CC1)c1ccccn1)O)CN1CCN(CC1)c1ccccn1

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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 C31H40N8O3 MW 572.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N8O3/c40-25(21-34-13-17-36(18-14-34)29-9-3-5-11-32-29)23-38-27-7-1-2-8-28(27)39(31(38)42)24-26(41)22-35-15-19-37(20-16-35)30-10-4-6-12-33-30/h1-12,25-26,40-41H,13-24H2
InChIKey
OHPQZTJQJNKGSP-UHFFFAOYSA-N
Synonyms

13bis(2hydroxy3(4(pyridin2yl)piperazin1yl)propyl)13dihydro2Hbenzimidazol2one
13bis(2hydroxy3(4(pyridin2yl)piperazin1yl)propyl)1Hbenzo(d)imidazol2(3H)onetetrahydrochloride
13bis(2hydroxy3(4pyridin2ylpiperazin1yl)propyl)benzimidazol2one
4976886
InChI=1SC31H40N8O3c4025(2134131736(181434)29935113229)233827712828(27)39(31(38)42)2426(41)2235151937(201635)301046123330h11225264041H1324H2
MFCD00985556
OC(Cn1c(=O)n(c2c1cccc2)CC(CN1CCN(CC1)c1ccccn1)O)CN1CCN(CC1)c1ccccn1ClClClCl
ZINC000104057955
ZINC000104057966

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Available files

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