Vitas-M small molecule compound

propyl 4-{[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]amino}benzoate

Catalog ID
STK003440
SMILES CCCOC(=O)c1ccc(cc1)NC(=O)Cn1cnc2c1c(=O)n(C)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 C19H21N5O5 MW 399.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O5/c1-4-9-29-18(27)12-5-7-13(8-6-12)21-14(25)10-24-11-20-16-15(24)17(26)23(3)19(28)22(16)2/h5-8,11H,4,9-10H2,1-3H3,(H,21,25)
InChIKey
XQNNSPNNNYHKMW-UHFFFAOYSA-N
Synonyms
332117-30-3
332117303
CCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C
CCCOC(=O)c1ccc(cc1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
InChI=1SC19H21N5O5c1492918(27)125713(8612)2114(25)102411201615(24)17(26)23(3)19(28)22(16)2h5811H4910H213H3(H2125)
MFCD01993438
propyl4(((13dimethyl26dioxo1236tetrahydro7Hpurin7yl)acetyl)amino)benzoate
PROPYL4((2(13DIMETHYL26DIOXOPURIN7YL)ACETYL)AMINO)BENZOATE
PROPYL4(2(13DIMETHYL26DIOXO137TRIHYDROPURIN7YL)ACETYLAMINO)BENZOATE
STK003440
ZINC000004112273
ZINC04112273
ZINC4112273

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Available files

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