Vitas-M small molecule compound

5-butyl-3-[2-(cyclohex-1-en-1-yl)ethyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl pentanoate

Catalog ID
STK991231
SMILES CCCCC(=O)Oc1cn(c2c1c1nc3c(n1c(n2)CCCC)cccc3)CCC1=CCCCC1

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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 C29H36N4O2 MW 472.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N4O2/c1-3-5-16-25-31-28-27(29-30-22-14-10-11-15-23(22)33(25)29)24(35-26(34)17-6-4-2)20-32(28)19-18-21-12-8-7-9-13-21/h10-12,14-15,20H,3-9,13,16-19H2,1-2H3
InChIKey
RXNADAQPRAOSSC-UHFFFAOYSA-N
Synonyms
885200-01-1
5butyl3(2(cyclohex1en1yl)ethyl)3Hbenzo(45)imidazo(12c)pyrrolo(32e)pyrimidin1ylpentanoate
5butyl3(2(cyclohex1en1yl)ethyl)3Hpyrrolo(2345)pyrimido(16a)benzimidazol1ylpentanoate
885200011
CCCCC1=NC2=C(C(=CN2CCC3=CCCCC3)OC(=O)CCCC)C4=NC5=CC=CC=C5N14
InChI=1SC29H36N4O2c1351625312827(2930221410111523(22)33(25)29)24(3526(34)17642)2032(28)191821128791321h1012141520H39131619H212H3
MFCD06611572
ZINC000009124583
ZINC09124583
ZINC9124583

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Available files

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