Vitas-M small molecule compound

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

Catalog ID
STK716125
SMILES O=C(C(C)C)Oc1cn(c2c1c1nc3c(n1c(n2)C(C)C)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 C27H32N4O2 MW 444.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O2/c1-17(2)24-29-25-23(26-28-20-12-8-9-13-21(20)31(24)26)22(33-27(32)18(3)4)16-30(25)15-14-19-10-6-5-7-11-19/h8-10,12-13,16-18H,5-7,11,14-15H2,1-4H3
InChIKey
AJNBJYIBCVQMDL-UHFFFAOYSA-N
Synonyms
885199-94-0
3(2(cyclohex1en1yl)ethyl)5(propan2yl)3Hpyrrolo(2345)pyrimido(16a)benzimidazol1yl2methylpropanoate
3(2(cyclohex1en1yl)ethyl)5isopropyl3Hbenzo(45)imidazo(12c)pyrrolo(32e)pyrimidin1ylisobutyrate
885199940
CC(C)C1=NC2=C(C(=CN2CCC3=CCCCC3)OC(=O)C(C)C)C4=NC5=CC=CC=C5N41
InChI=1SC27H32N4O2c117(2)24292523(26282012891321(20)31(24)26)22(3327(32)18(3)4)1630(25)151419106571119h81012131618H57111415H214H3
MFCD06614088
ZINC000009540796
ZINC09540796
ZINC9540796

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Available files

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