Vitas-M small molecule compound

6-butyl-1,3-dimethyl-7,8-diphenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione

Catalog ID
STK691670
SMILES CCCCc1c(c2ccccc2)n(c2n1c1c(=O)n(C)c(=O)n(c1n2)C)c1ccccc1

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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 C25H25N5O2 MW 427.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O2/c1-4-5-16-19-20(17-12-8-6-9-13-17)29(18-14-10-7-11-15-18)24-26-22-21(30(19)24)23(31)28(3)25(32)27(22)2/h6-15H,4-5,16H2,1-3H3
InChIKey
XBCSNLQFTNSPKA-UHFFFAOYSA-N
Synonyms

6butyl13dimethyl78diphenyl1Himidazo(21f)purine24(3H8H)dione
8butyl24dimethyl67diphenylpurino(78a)imidazole13dione
CCCCC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC25H25N5O2c145161920(17128691317)29(1814107111518)24262221(30(19)24)23(31)28(3)25(32)27(22)2h615H4516H213H3
MFCD10037772
ZINC000015081266
ZINC15081266

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.