Vitas-M small molecule compound
8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(2,3-dihydroxypropyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STL039562
SMILES OCC(Cn1c(N/N=C/C(=C/c2ccccc2)/Br)nc2c1c(O)nc(=O)n2C)O
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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 C18H19BrN6O4 MW 463.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19BrN6O4/c1-24-15-14(16(28)22-18(24)29)25(9-13(27)10-26)17(21-15)23-20-8-12(19)7-11-5-3-2-4-6-11/h2-8,13,26-27H,9-10H2,1H3,(H,21,23)(H,22,28,29)/b12-7-,20-8+InChIKey
XDPZGGBQKUXZAE-BMDUTWNQSA-NSynonyms
8((2E)2((2Z)2bromo3phenylprop2en1ylidene)hydrazinyl)7(23dihydroxypropyl)6hydroxy3methyl37dihydro2Hpurin2one
8((2E)2((Z)2bromo3phenylprop2enylidene)hydrazinyl)7(23dihydroxypropyl)3methylpurine26dione
CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC(=CC3=CC=CC=C3)Br)CC(CO)O
InChI=1SC18H19BrN6O4c1241514(16(28)2218(24)29)25(913(27)1026)17(2115)2320812(19)7115324611h28132627H910H21H3(H2123)(H222829)b127208+
MFCD03801483
OCC(Cn1c(NN=CC(=Cc2ccccc2)Br)nc2c1c(O)nc(=O)n2C)O
ZINC000001303831
ZINC000013204579
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