Vitas-M small molecule compound
3-methyl-7-(3-phenylpropyl)-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK540394
SMILES C=CCNc1nc2c(n1CCCc1ccccc1)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 C18H21N5O2 MW 339.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N5O2/c1-3-11-19-17-20-15-14(16(24)21-18(25)22(15)2)23(17)12-7-10-13-8-5-4-6-9-13/h3-6,8-9H,1,7,10-12H2,2H3,(H,19,20)(H,21,24,25)InChIKey
XDKZCQFBNPJGKD-UHFFFAOYSA-NSynonyms
377052-96-5377052965
3methyl7(3phenylpropyl)8(prop2en1ylamino)37dihydro1Hpurine26dione
3METHYL7(3PHENYLPROPYL)8(PROP2ENYLAMINO)PURINE26DIONE
8(allylamino)3methyl7(3phenylpropyl)1Hpurine26(3H7H)dione
8ALLYLAMINO3METHYL7(3PHENYLPROPYL)37DIHYDROPURINE26DIONE
C=CCNc1nc2c(n1CCCc1ccccc1)c(=O)(nH)c(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC=C)CCCC3=CC=CC=C3
InChI=1SC18H21N5O2c13111917201514(16(24)2118(25)22(15)2)23(17)12710138546913h3689H171012H22H3(H1920)(H212425)
MFCD02736202
ZINC000013151422
ZINC13151422
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