Vitas-M small molecule compound

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

Catalog ID
STK640035
SMILES OC(=O)CCn1c(NCc2ccccc2)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 C16H17N5O4 MW 343.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O4/c1-20-13-12(14(24)19-16(20)25)21(8-7-11(22)23)15(18-13)17-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,17,18)(H,22,23)(H,19,24,25)
InChIKey
CJZHXGURLWLFGG-UHFFFAOYSA-N
Synonyms
121511-72-6
121511726
3(8(BENZYLAMINO)3METHYL26DIOXOPURIN7YL)PROPANOICACID
3(8(benzylamino)6hydroxy3methyl2oxo23dihydro7Hpurin7yl)propanoicacid
CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CCC(=O)O
InChI=1SC16H17N5O4c1201312(14(24)1916(20)25)21(8711(22)23)15(1813)179105324610h26H79H21H3(H1718)(H2223)(H192425)
MFCD18162200
ZINC000000492926
ZINC492926

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Available files

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