Vitas-M small molecule compound
3-hexyl-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Catalog ID
STL002479
SMILES CCCCCCn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(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 C23H31N5O2 MW 409.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N5O2/c1-5-6-7-8-13-26-21(29)19-20(25(4)23(26)30)24-22-27(14-17(3)15-28(19)22)18-11-9-16(2)10-12-18/h9-12,17H,5-8,13-15H2,1-4H3InChIKey
MAIBBUIBTMLDNQ-UHFFFAOYSA-NSynonyms
843671-84-13HEXYL17DIMETHYL9(4METHYLPHENYL)135TRIHYDRO6H7H8H13DIAZAPERHYDROINO(12H)PURINE24DIONE
3hexyl17dimethyl9(4methylphenyl)6789tetrahydropyrimido(21f)purine24(1H3H)dione
3HEXYL17DIMETHYL9(4METHYLPHENYL)78DIHYDRO6HPURINO(78A)PYRIMIDINE24DIONE
3hexyl17dimethyl9(ptolyl)6789tetrahydropyrimido(21f)purine24(1H3H)dione
843671841
CCCCCCN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=C(C=C4)C)C)N(C1=O)C
InChI=1SC23H31N5O2c15678132621(29)1920(25(4)23(26)30)242227(1417(3)1528(19)22)1811916(2)101218h91217H581315H214H3
MFCD04163283
ZINC000012374017
ZINC000012374018
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