Vitas-M small molecule compound

4-{(2E)-2-[2-(8-bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethylidene]hydrazinyl}benzoic acid

Catalog ID
STL332542
SMILES OC(=O)c1ccc(cc1)N/N=C/Cn1c(Br)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 C16H15BrN6O4 MW 435.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15BrN6O4/c1-21-12-11(13(24)22(2)16(21)27)23(15(17)19-12)8-7-18-20-10-5-3-9(4-6-10)14(25)26/h3-7,20H,8H2,1-2H3,(H,25,26)/b18-7+
InChIKey
NOTUZTVWJNEQAB-CNHKJKLMSA-N
Synonyms

4((2E)2(2(8bromo13dimethyl26dioxo1236tetrahydro7Hpurin7yl)ethylidene)hydrazinyl)benzoicacid
4((2E)2(2(8bromo13dimethyl26dioxopurin7yl)ethylidene)hydrazinyl)benzoicacid
4(2(2(8bromo13dimethyl26dioxo23dihydro1Hpurin7(6H)yl)ethylidene)hydrazinyl)benzoicacid
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC=NNC3=CC=C(C=C3)C(=O)O
InChI=1SC16H15BrN6O4c1211211(13(24)22(2)16(21)27)23(15(17)1912)87182010539(4610)14(25)26h3720H8H212H3(H2526)b187+
MFCD03007136
OC(=O)c1ccc(cc1)NN=CCn1c(Br)nc2c1c(=O)n(C)c(=O)n2C
ZINC000009370547
ZINC85909422

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Available files

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