Vitas-M small molecule compound

3-hexyl-1-methyl-9-(3-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione

Catalog ID
STL006731
SMILES CCCCCCn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1cccc(c1)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 C22H29N5O2 MW 395.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N5O2/c1-4-5-6-7-12-27-20(28)18-19(24(3)22(27)29)23-21-25(13-9-14-26(18)21)17-11-8-10-16(2)15-17/h8,10-11,15H,4-7,9,12-14H2,1-3H3
InChIKey
SKFRUPCVWBZUBL-UHFFFAOYSA-N
Synonyms
845802-54-2
3HEXYL1METHYL9(3METHYLPHENYL)135TRIHYDRO6H7H8H13DIAZAPERHYDROINO(12H)PURINE24DIONE
3hexyl1methyl9(3methylphenyl)6789tetrahydropyrimido(21f)purine24(1H3H)dione
3HEXYL1METHYL9(3METHYLPHENYL)78DIHYDRO6HPURINO(78A)PYRIMIDINE24DIONE
3hexyl1methyl9(mtolyl)6789tetrahydropyrimido(21f)purine24(1H3H)dione
845802542
CCCCCCN1C(=O)C2=C(N=C3N2CCCN3C4=CC=CC(=C4)C)N(C1=O)C
InChI=1SC22H29N5O2c14567122720(28)1819(24(3)22(27)29)232125(1391426(18)21)171181016(2)1517h8101115H4791214H213H3
MFCD04169912
ZINC000008625402
ZINC08625402
ZINC8625402

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Available files

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