Vitas-M small molecule compound

9-benzyl-1-methyl-3-[(2E)-3-phenylprop-2-en-1-yl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione

Catalog ID
STK850681
SMILES O=c1n(C/C=C/c2ccccc2)c(=O)c2c(n1C)nc1n2CCCN1Cc1ccccc1

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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 C25H25N5O2 MW 427.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O2/c1-27-22-21(23(31)30(25(27)32)16-8-14-19-10-4-2-5-11-19)29-17-9-15-28(24(29)26-22)18-20-12-6-3-7-13-20/h2-8,10-14H,9,15-18H2,1H3/b14-8+
InChIKey
HLZICHDQSYEDFL-RIYZIHGNSA-N
Synonyms
1164467-69-9
1164467699
3((2E)3PHENYLPROP2ENYL)1METHYL9BENZYL135TRIHYDRO6H7H8H13DIAZAPERHYDROINO(12H)PURINE24DIONE
9benzyl1methyl3((2E)3phenylprop2en1yl)6789tetrahydropyrimido(21f)purine24(1H3H)dione
9BENZYL1METHYL3((E)3PHENYLPROP2ENYL)78DIHYDRO6HPURINO(78A)PYRIMIDINE24DIONE
9benzyl3cinnamyl1methyl6789tetrahydropyrimido(21f)purine24(1H3H)dione
CN1C2=C(C(=O)N(C1=O)CC=CC3=CC=CC=C3)N4CCCN(C4=N2)CC5=CC=CC=C5
InChI=1SC25H25N5O2c1272221(23(31)30(25(27)32)1681419104251119)291791528(24(29)2622)1820126371320h281014H91518H21H3b148+
MFCD06406154
O=c1n(CC=Cc2ccccc2)c(=O)c2c(n1C)nc1n2CCCN1Cc1ccccc1
ZINC000038154668
ZINC38154668

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Available files

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