Vitas-M small molecule compound
N-{7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}phenylalanine
Catalog ID
STK591629
SMILES Cc1cccc(c1)OCC(Cn1c(NC(C(=O)O)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C)O
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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 C26H29N5O6 MW 507.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O6/c1-16-8-7-11-19(12-16)37-15-18(32)14-31-21-22(29(2)26(36)30(3)23(21)33)28-25(31)27-20(24(34)35)13-17-9-5-4-6-10-17/h4-12,18,20,32H,13-15H2,1-3H3,(H,27,28)(H,34,35)InChIKey
UPNPBXQPNPSPDZ-UHFFFAOYSA-NSynonyms
1008860-16-91008860169
2((7(2HYDROXY3(3METHYLPHENOXY)PROPYL)13DIMETHYL26DIOXOPURIN8YL)AMINO)3PHENYLPROPANOICACID
2((7(2hydroxy3(mtolyloxy)propyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)amino)3phenylpropanoicacid
CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NC(CC4=CC=CC=C4)C(=O)O)N(C(=O)N(C3=O)C)C)O
InChI=1SC26H29N5O6c116871119(1216)371518(32)14312122(29(2)26(36)30(3)23(21)33)2825(31)2720(24(34)35)131795461017h412182032H1315H213H3(H2728)(H3435)
MFCD05693936
N(7(2hydroxy3(3methylphenoxy)propyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)phenylalanine
ZINC000002408627
ZINC000009292465
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