Vitas-M small molecule compound

3-(3-methylbutyl)-5-pentyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl hexanoate

Catalog ID
STK716191
SMILES CCCCCC(=O)Oc1cn(c2c1c1nc3c(n1c(n2)CCCCC)cccc3)CCC(C)C

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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 C28H38N4O2 MW 462.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N4O2/c1-5-7-9-15-24-30-27-26(28-29-21-13-11-12-14-22(21)32(24)28)23(19-31(27)18-17-20(3)4)34-25(33)16-10-8-6-2/h11-14,19-20H,5-10,15-18H2,1-4H3
InChIKey
FLISXUIZXJRRFY-UHFFFAOYSA-N
Synonyms
885174-33-4
3(3methylbutyl)5pentyl3Hpyrrolo(2345)pyrimido(16a)benzimidazol1ylhexanoate
3isopentyl5pentyl3Hbenzo(45)imidazo(12c)pyrrolo(32e)pyrimidin1ylhexanoate
885174334
CCCCCC1=NC2=C(C(=CN2CCC(C)C)OC(=O)CCCCC)C3=NC4=CC=CC=C4N13
InChI=1SC28H38N4O2c15791524302726(2829211311121422(21)32(24)28)23(1931(27)181720(3)4)3425(33)1610862h11141920H5101518H214H3
MFCD06598104
ZINC000009243350
ZINC09243350
ZINC9243350

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Available files

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