Vitas-M small molecule compound

3-(3-phenylpropyl)-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 2-methylpropanoate

Catalog ID
STK716226
SMILES O=C(C(C)C)Oc1cn(c2c1c1nc3c(n1c(n2)C(C)C)cccc3)CCCc1ccccc1

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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 C28H30N4O2 MW 454.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O2/c1-18(2)25-30-26-24(27-29-21-14-8-9-15-22(21)32(25)27)23(34-28(33)19(3)4)17-31(26)16-10-13-20-11-6-5-7-12-20/h5-9,11-12,14-15,17-19H,10,13,16H2,1-4H3
InChIKey
XCPUVCQKHAHLRE-UHFFFAOYSA-N
Synonyms
885177-35-5
3(3phenylpropyl)5(propan2yl)3Hpyrrolo(2345)pyrimido(16a)benzimidazol1yl2methylpropanoate
5isopropyl3(3phenylpropyl)3Hbenzo(45)imidazo(12c)pyrrolo(32e)pyrimidin1ylisobutyrate
885177355
CC(C)C1=NC2=C(C(=CN2CCCC3=CC=CC=C3)OC(=O)C(C)C)C4=NC5=CC=CC=C5N41
InChI=1SC28H30N4O2c118(2)25302624(27292114891522(21)32(25)27)23(3428(33)19(3)4)1731(26)16101320116571220h59111214151719H101316H214H3
MFCD06609534
ZINC000009124406
ZINC09124406
ZINC9124406

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Available files

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