Vitas-M small molecule compound

N-{7-[2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}phenylalanine

Catalog ID
STK589086
SMILES Cc1ccc(cc1)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/c1-16-9-11-19(12-10-16)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)13-17-7-5-4-6-8-17/h4-12,18,20,32H,13-15H2,1-3H3,(H,27,28)(H,34,35)
InChIKey
QLFOJUMFXKRGIQ-UHFFFAOYSA-N
Synonyms

2((7(2HYDROXY3(4METHYLPHENOXY)PROPYL)13DIMETHYL26DIOXOPURIN8YL)AMINO)3PHENYLPROPANOICACID
2((7(2hydroxy3(ptolyloxy)propyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)amino)3phenylpropanoicacid
CC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NC(CC4=CC=CC=C4)C(=O)O)N(C(=O)N(C3=O)C)C)O
InChI=1SC26H29N5O6c11691119(121016)371518(32)14312122(29(2)26(36)30(3)23(21)33)2825(31)2720(24(34)35)13177546817h412182032H1315H213H3(H2728)(H3435)
MFCD05703069
N(7(2hydroxy3(4methylphenoxy)propyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)phenylalanine
ZINC000009292797
ZINC000009292801

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Available files

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