Vitas-M small molecule compound

3-butyl-9-(3,5-dimethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione

Catalog ID
STL002237
SMILES CCCCn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1cc(C)cc(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 C21H27N5O2 MW 381.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O2/c1-5-6-8-26-19(27)17-18(23(4)21(26)28)22-20-24(9-7-10-25(17)20)16-12-14(2)11-15(3)13-16/h11-13H,5-10H2,1-4H3
InChIKey
KQWGKYPHJQPRBC-UHFFFAOYSA-N
Synonyms
844821-76-7
3butyl9(35dimethylphenyl)1methyl6789tetrahydropyrimido(21f)purine24(1H3H)dione
3BUTYL9(35DIMETHYLPHENYL)1METHYL78DIHYDRO6HPURINO(78A)PYRIMIDINE24DIONE
844821767
9(35DIMETHYLPHENYL)3BUTYL1METHYL135TRIHYDRO6H7H8H13DIAZAPERHYDROINO(12H)PURINE24DIONE
CCCCN1C(=O)C2=C(N=C3N2CCCN3C4=CC(=CC(=C4)C)C)N(C1=O)C
InChI=1SC21H27N5O2c15682619(27)1718(23(4)21(26)28)222024(971025(17)20)161214(2)1115(3)1316h1113H510H214H3
MFCD04160406
ZINC000012374010
ZINC12374010

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Available files

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