Vitas-M small molecule compound
8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-6-hydroxy-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STK569615
SMILES OCCn1c(N/N=C/C(=C/c2ccccc2)/Br)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 C17H17BrN6O3 MW 433.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17BrN6O3/c1-23-14-13(15(26)21-17(23)27)24(7-8-25)16(20-14)22-19-10-12(18)9-11-5-3-2-4-6-11/h2-6,9-10,25H,7-8H2,1H3,(H,20,22)(H,21,26,27)/b12-9-,19-10+InChIKey
INGKAJAMJPKWNA-ICTHRGNNSA-NSynonyms
714254-88-3714254883
8((2E)2((2Z)2bromo3phenylprop2en1ylidene)hydrazinyl)6hydroxy7(2hydroxyethyl)3methyl37dihydro2Hpurin2one
8((2E)2((Z)2bromo3phenylprop2enylidene)hydrazinyl)7(2hydroxyethyl)3methylpurine26dione
CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC(=CC3=CC=CC=C3)Br)CCO
InChI=1SC17H17BrN6O3c1231413(15(26)2117(23)27)24(7825)16(2014)22191012(18)9115324611h2691025H78H21H3(H2022)(H212627)b1291910+
MFCD05731892
OCCn1c(NN=CC(=Cc2ccccc2)Br)nc2c1c(O)nc(=O)n2C
ZINC000017719548
ZINC33331336
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