Vitas-M small molecule compound

methyl 2-{[(8-chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]amino}benzoate

Catalog ID
STL368380
SMILES COC(=O)c1ccccc1NC(=O)Cn1c(Cl)nc2c1c(=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 C17H16ClN5O5 MW 405.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClN5O5/c1-21-13-12(14(25)22(2)17(21)27)23(16(18)20-13)8-11(24)19-10-7-5-4-6-9(10)15(26)28-3/h4-7H,8H2,1-3H3,(H,19,24)
InChIKey
XYTHHDCBVOUCHN-UHFFFAOYSA-N
Synonyms

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NC3=CC=CC=C3C(=O)OC
InChI=1SC17H16ClN5O5c1211312(14(25)22(2)17(21)27)23(16(18)2013)811(24)191075469(10)15(26)283h47H8H213H3(H1924)
methyl2(((8chloro13dimethyl26dioxo1236tetrahydro7Hpurin7yl)acetyl)amino)benzoate
METHYL2((2(8CHLORO13DIMETHYL26DIOXOPURIN7YL)ACETYL)AMINO)BENZOATE
MFCD05815925
ZINC000006637299
ZINC06637299
ZINC6637299

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Available files

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