Vitas-M small molecule compound

methyl 3-{4-cyano-1-[4-(diphenylmethyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazol-2-yl}propanoate

Catalog ID
STK953455
SMILES COC(=O)CCc1c(C)c(C#N)c2n(c1N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1n2

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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 C34H33N5O2 MW 543.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33N5O2/c1-24-27(17-18-31(40)41-2)34(39-30-16-10-9-15-29(30)36-33(39)28(24)23-35)38-21-19-37(20-22-38)32(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-16,32H,17-22H2,1-2H3
InChIKey
ZJYPQCZJFRPUSO-UHFFFAOYSA-N
Synonyms
844830-45-1
844830451
CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(=O)OC)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C#N
InChI=1SC34H33N5O2c12427(171831(40)412)34(3930161091529(30)3633(39)28(24)2335)38211937(202238)32(25115361225)26137481426h31632H1722H212H3
METHYL3(1(4(DIPHENYLMETHYL)PIPERAZINYL)4CYANO3METHYL10HYDROPYRIDINO(12A)BENZIMIDAZOL2YL)PROPANOATE
methyl3(1(4benzhydrylpiperazin1yl)4cyano3methylbenzo(45)imidazo(12a)pyridin2yl)propanoate
METHYL3(1(4BENZHYDRYLPIPERAZIN1YL)4CYANO3METHYLPYRIDO(12A)BENZIMIDAZOL2YL)PROPANOATE
methyl3(4cyano1(4(diphenylmethyl)piperazin1yl)3methylpyrido(12a)benzimidazol2yl)propanoate
MFCD04161789
ZINC000097954187
ZINC97954187

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Available files

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