Vitas-M small molecule compound

7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK847692
SMILES Cn1c(=O)n(C)c2c(c1=O)n(CCSc1nc3c(o1)cccc3)c(n2)N1CCCCC1

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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 C21H24N6O3S MW 440.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N6O3S/c1-24-17-16(18(28)25(2)21(24)29)27(19(23-17)26-10-6-3-7-11-26)12-13-31-20-22-14-8-4-5-9-15(14)30-20/h4-5,8-9H,3,6-7,10-13H2,1-2H3
InChIKey
IJGXZNLMSFVFRR-UHFFFAOYSA-N
Synonyms
838867-55-3
7(2(13benzoxazol2ylsulfanyl)ethyl)13dimethyl8(piperidin1yl)37dihydro1Hpurine26dione
7(2(13BENZOXAZOL2YLSULFANYL)ETHYL)13DIMETHYL8PIPERIDIN1YLPURINE26DIONE
7(2(BENZO(D)OXAZOL2YLTHIO)ETHYL)13DIMETHYL8(PIPERIDIN1YL)1HPURINE26(3H7H)DIONE
7(2BENZOXAZOL2YLTHIOETHYL)13DIMETHYL8PIPERIDYL137TRIHYDROPURINE26DIONE
838867553
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCSC4=NC5=CC=CC=C5O4
InChI=1SC21H24N6O3Sc1241716(18(28)25(2)21(24)29)27(19(2317)26106371126)121331202214845915(14)3020h4589H3671013H212H3
MFCD04456921
ZINC000002355476
ZINC02355476
ZINC2355476

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Available files

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