Vitas-M small molecule compound

7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-bromo-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one

Catalog ID
STL046566
SMILES Cn1c(=O)nc(c2c1nc(n2CCSc1nc2c(o1)cccc2)Br)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 C15H12BrN5O3S MW 422.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12BrN5O3S/c1-20-11-10(12(22)19-14(20)23)21(13(16)18-11)6-7-25-15-17-8-4-2-3-5-9(8)24-15/h2-5H,6-7H2,1H3,(H,19,22,23)
InChIKey
VILABJCYBMFSLL-UHFFFAOYSA-N
Synonyms
303972-92-1
303972921
7(2(13BENZOXAZOL2YLSULFANYL)ETHYL)8BROMO3METHYLPURINE26DIONE
7(2(13benzoxazol2ylsulfanyl)ethyl)8bromo6hydroxy3methyl37dihydro2Hpurin2one
7(2(BENZO(D)OXAZOL2YLTHIO)ETHYL)8BROMO3METHYL1HPURINE26(3H7H)DIONE
7(2BENZOXAZOL2YLTHIOETHYL)8BROMO3METHYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCSC3=NC4=CC=CC=C4O3
InChI=1SC15H12BrN5O3Sc1201110(12(22)1914(20)23)21(13(16)1811)67251517842359(8)2415h25H67H21H3(H192223)
MFCD04072983
ZINC000000969701
ZINC00969701
ZINC969701

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Available files

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