Vitas-M small molecule compound

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

Catalog ID
STK991135
SMILES CCC(=O)Oc1cn(c2c1c1nc3c(n1c(n2)CC)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 C25H22N4O4 MW 442.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O4/c1-3-21-27-24-23(25-26-16-7-5-6-8-17(16)29(21)25)20(33-22(30)4-2)13-28(24)12-15-9-10-18-19(11-15)32-14-31-18/h5-11,13H,3-4,12,14H2,1-2H3
InChIKey
KVTZSVVFLWVSNL-UHFFFAOYSA-N
Synonyms
861651-17-4
3(13benzodioxol5ylmethyl)5ethyl3Hpyrrolo(2345)pyrimido(16a)benzimidazol1ylpropanoate
3(benzo(d)(13)dioxol5ylmethyl)5ethyl3Hbenzo(45)imidazo(12c)pyrrolo(32e)pyrimidin1ylpropionate
861651174
CCC1=NC2=C(C(=CN2CC3=CC4=C(C=C3)OCO4)OC(=O)CC)C5=NC6=CC=CC=C6N15
InChI=1SC25H22N4O4c1321272423(252616756817(16)29(21)25)20(3322(30)42)1328(24)12159101819(1115)32143118h51113H341214H212H3
MFCD05686438
ZINC000008871207
ZINC08871207
ZINC8871207

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Available files

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