Vitas-M small molecule compound
butyl 4-[7-(4-heptylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]benzoate
Catalog ID
STK693552
SMILES CCCCCCCc1ccc(cc1)c1cn2c(n1c1ccc(cc1)C(=O)OCCCC)nc1c2c(=O)n(C)c(=O)n1C
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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 C33H39N5O4 MW 569.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39N5O4/c1-5-7-9-10-11-12-23-13-15-24(16-14-23)27-22-37-28-29(35(3)33(41)36(4)30(28)39)34-32(37)38(27)26-19-17-25(18-20-26)31(40)42-21-8-6-2/h13-20,22H,5-12,21H2,1-4H3InChIKey
WYAVHENVMNSABE-UHFFFAOYSA-NSynonyms
butyl4(7(4heptylphenyl)13dimethyl24dioxo1234tetrahydro8Himidazo(21f)purin8yl)benzoate
butyl4(7(4heptylphenyl)24dimethyl13dioxopurino(78a)imidazol6yl)benzoate
CCCCCCCC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2C5=CC=C(C=C5)C(=O)OCCCC)N(C(=O)N(C4=O)C)C
InChI=1SC33H39N5O4c157910111223131524(161423)2722372829(35(3)33(41)36(4)30(28)39)3432(37)38(27)26191725(182026)31(40)4221862h132022H51221H214H3
MFCD12033621
ZINC000100240021
ZINC100240021
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