Vitas-M small molecule compound
7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl benzoate
Catalog ID
STL320738
SMILES OC(c1ccc(cc1)[N+](=O)[O-])Cn1c(OC(=O)c2ccccc2)nc2c1c(=O)[nH]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 C21H17N5O7 MW 451.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O7/c1-24-17-16(18(28)23-20(24)30)25(11-15(27)12-7-9-14(10-8-12)26(31)32)21(22-17)33-19(29)13-5-3-2-4-6-13/h2-10,15,27H,11H2,1H3,(H,23,28,30)InChIKey
ODSMUFLMQPLCJV-UHFFFAOYSA-NSynonyms
370871-74-2(7(2HYDROXY2(4NITROPHENYL)ETHYL)3METHYL26DIOXOPURIN8YL)BENZOATE
370871742
7(2hydroxy2(4nitrophenyl)ethyl)3methyl26dioxo2367tetrahydro1Hpurin8ylbenzoate
CN1C2=C(C(=O)NC1=O)N(C(=N2)OC(=O)C3=CC=CC=C3)CC(C4=CC=C(C=C4)(N+)(=O)(O))O
InChI=1SC21H17N5O7c1241716(18(28)2320(24)30)25(1115(27)127914(10812)26(31)32)21(2217)3319(29)135324613h2101527H11H21H3(H232830)
MFCD01550177
OC(c1ccc(cc1)(N+)(=O)(O))Cn1c(OC(=O)c2ccccc2)nc2c1c(=O)(nH)c(=O)n2C
ZINC000008926243
ZINC000008926244
Check stock
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