Vitas-M small molecule compound

butyl [1-methyl-10-(4-methylphenyl)-2,4-dioxo-1,2,4,6,7,8,9,10-octahydro-3H-[1,3]diazepino[2,1-f]purin-3-yl]acetate

Catalog ID
STL321815
SMILES CCCCOC(=O)Cn1c(=O)n(C)c2c(c1=O)n1CCCCN(c1n2)c1ccc(cc1)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 C23H29N5O4 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N5O4/c1-4-5-14-32-18(29)15-28-21(30)19-20(25(3)23(28)31)24-22-26(12-6-7-13-27(19)22)17-10-8-16(2)9-11-17/h8-11H,4-7,12-15H2,1-3H3
InChIKey
QARIXEHVSRPEDA-UHFFFAOYSA-N
Synonyms
302796-74-3
302796743
butyl(1methyl10(4methylphenyl)24dioxo124678910octahydro3H(13)diazepino(21f)purin3yl)acetate
butyl2(1methyl10(4methylphenyl)24dioxo6789tetrahydropurino(78a)(13)diazepin3yl)acetate
butyl2(1methyl24dioxo10(ptolyl)78910tetrahydro1H(13)diazepino(21f)purin3(2H4H6H)yl)acetate
CCCCOC(=O)CN1C(=O)C2=C(N=C3N2CCCCN3C4=CC=C(C=C4)C)N(C1=O)C
InChI=1SC23H29N5O4c145143218(29)152821(30)1920(25(3)23(28)31)242226(12671327(19)22)1710816(2)91117h811H471215H213H3
MFCD01090421
ZINC000008468905
ZINC08468905
ZINC8468905

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Available files

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