Vitas-M small molecule compound

[6-hydroxy-3-methyl-2-oxo-8-(phenylamino)-2,3-dihydro-7H-purin-7-yl]acetic acid

Catalog ID
STL154643
SMILES OC(=O)Cn1c(Nc2ccccc2)nc2c1c(O)nc(=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 C14H13N5O4 MW 315.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N5O4/c1-18-11-10(12(22)17-14(18)23)19(7-9(20)21)13(16-11)15-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,16)(H,20,21)(H,17,22,23)
InChIKey
BPHVDBBTJLSWEL-UHFFFAOYSA-N
Synonyms
107608-74-2
(6hydroxy3methyl2oxo8(phenylamino)23dihydro7Hpurin7yl)aceticacid
107608742
2(3METHYL26DIOXO8(PHENYLAMINO)23DIHYDRO1HPURIN7(6H)YL)ACETICACID
2(8ANILINO3METHYL26DIOXOPURIN7YL)ACETICACID
CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3=CC=CC=C3)CC(=O)O
InChI=1SC14H13N5O4c1181110(12(22)1714(18)23)19(79(20)21)13(1611)158532468h26H7H21H3(H1516)(H2021)(H172223)
MFCD20757049
ZINC6909068

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Available files

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