Vitas-M small molecule compound

ethyl 4-(6-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl)benzoate

Catalog ID
STK693316
SMILES CCCCc1n2c3c(nc2n(c1c1ccccc1)c1ccc(cc1)C(=O)OCC)n(C)c(=O)n(c3=O)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 C28H29N5O4 MW 499.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O4/c1-5-7-13-21-22(18-11-9-8-10-12-18)32(20-16-14-19(15-17-20)26(35)37-6-2)27-29-24-23(33(21)27)25(34)31(4)28(36)30(24)3/h8-12,14-17H,5-7,13H2,1-4H3
InChIKey
MITVOPAYNHTHKV-UHFFFAOYSA-N
Synonyms

CCCCC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)C(=O)OCC)C5=CC=CC=C5
ethyl4(6butyl13dimethyl24dioxo7phenyl1234tetrahydro8Himidazo(21f)purin8yl)benzoate
ethyl4(8butyl24dimethyl13dioxo7phenylpurino(78a)imidazol6yl)benzoate
InChI=1SC28H29N5O4c157132122(181198101218)32(20161419(151720)26(35)3762)27292423(33(21)27)25(34)31(4)28(36)30(24)3h8121417H5713H214H3
MFCD10039409
ZINC000015106368
ZINC15106368

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Available files

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