Vitas-M small molecule compound
7-(2-chlorobenzyl)-3-methyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK538733
SMILES C=CCNc1nc2c(n1Cc1ccccc1Cl)c(=O)[nH]c(=O)n2C
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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 C16H16ClN5O2 MW 345.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16ClN5O2/c1-3-8-18-15-19-13-12(14(23)20-16(24)21(13)2)22(15)9-10-6-4-5-7-11(10)17/h3-7H,1,8-9H2,2H3,(H,18,19)(H,20,23,24)InChIKey
HCZQSEIPAPMAKL-UHFFFAOYSA-NSynonyms
377051-63-3377051633
7((2CHLOROPHENYL)METHYL)3METHYL8(PROP2ENYLAMINO)137TRIHYDROPURINE26DIONE
7((2CHLOROPHENYL)METHYL)3METHYL8(PROP2ENYLAMINO)PURINE26DIONE
7(2chlorobenzyl)3methyl8(prop2en1ylamino)37dihydro1Hpurine26dione
8(allylamino)7(2chlorobenzyl)3methyl1Hpurine26(3H7H)dione
8ALLYLAMINO7(2CHLOROBENZYL)3METHYL37DIHYDROPURINE26DIONE
C=CCNc1nc2c(n1Cc1ccccc1Cl)c(=O)(nH)c(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC=C)CC3=CC=CC=C3Cl
InChI=1SC16H16ClN5O2c1381815191312(14(23)2016(24)21(13)2)22(15)910645711(10)17h37H189H22H3(H1819)(H202324)
MFCD02982917
ZINC000012647529
ZINC12647529
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