Vitas-M small molecule compound

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

Catalog ID
STK716097
SMILES CCCCC(=O)Oc1cn(c2c1c1nc3c(n1c(n2)CCCC)cccc3)Cc1ccc2c(c1)OCO2

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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 C29H30N4O4 MW 498.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O4/c1-3-5-11-25-31-28-27(29-30-20-9-7-8-10-21(20)33(25)29)24(37-26(34)12-6-4-2)17-32(28)16-19-13-14-22-23(15-19)36-18-35-22/h7-10,13-15,17H,3-6,11-12,16,18H2,1-2H3
InChIKey
JJIHLXVLQVLGTN-UHFFFAOYSA-N
Synonyms
885197-56-8
3(13benzodioxol5ylmethyl)5butyl3Hpyrrolo(2345)pyrimido(16a)benzimidazol1ylpentanoate
3(benzo(d)(13)dioxol5ylmethyl)5butyl3Hbenzo(45)imidazo(12c)pyrrolo(32e)pyrimidin1ylpentanoate
885197568
CCCCC1=NC2=C(C(=CN2CC3=CC4=C(C=C3)OCO4)OC(=O)CCCC)C5=NC6=CC=CC=C6N15
InChI=1SC29H30N4O4c1351125312827(2930209781021(20)33(25)29)24(3726(34)12642)1732(28)161913142223(1519)36183522h710131517H3611121618H212H3
MFCD06591394
ZINC000009293018
ZINC09293018
ZINC9293018

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Available files

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