Vitas-M small molecule compound

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

Catalog ID
STL040529
SMILES CN(c1nc2c(n1CCCSc1nc3c(o1)cccc3)c(O)nc(=O)n2C)Cc1ccccc1

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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 C24H24N6O3S MW 476.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N6O3S/c1-28(15-16-9-4-3-5-10-16)22-26-20-19(21(31)27-23(32)29(20)2)30(22)13-8-14-34-24-25-17-11-6-7-12-18(17)33-24/h3-7,9-12H,8,13-15H2,1-2H3,(H,27,31,32)
InChIKey
RJAVCWCYWFJOSM-UHFFFAOYSA-N
Synonyms
714947-45-2
7(3(13BENZOXAZOL2YLSULFANYL)PROPYL)8(BENZYL(METHYL)AMINO)3METHYLPURINE26DIONE
7(3(13benzoxazol2ylsulfanyl)propyl)8(benzyl(methyl)amino)6hydroxy3methyl37dihydro2Hpurin2one
714947452
CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CCCSC4=NC5=CC=CC=C5O4
InChI=1SC24H24N6O3Sc128(151694351016)22262019(21(31)2723(32)29(20)2)30(22)138143424251711671218(17)3324h37912H81315H212H3(H273132)
MFCD05737429
ZINC000009001558
ZINC09001558
ZINC9001558

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Available files

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