Vitas-M small molecule compound

8-{4-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]piperazin-1-yl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK207346
SMILES O=C(N1CCN(CC1)c1[nH]c2c(n1)n(C)c(=O)n(c2=O)C)CSc1nc2c(o1)cccc2

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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 C20H21N7O4S MW 455.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N7O4S/c1-24-16-15(17(29)25(2)20(24)30)22-18(23-16)27-9-7-26(8-10-27)14(28)11-32-19-21-12-5-3-4-6-13(12)31-19/h3-6H,7-11H2,1-2H3,(H,22,23)
InChIKey
YAKLKAZKJUDXFM-UHFFFAOYSA-N
Synonyms
847586-41-8
8(4((13benzoxazol2ylsulfanyl)acetyl)piperazin1yl)13dimethyl37dihydro1Hpurine26dione
8(4(2(13BENZOXAZOL2YLSULFANYL)ACETYL)PIPERAZIN1YL)13DIMETHYL7HPURINE26DIONE
8(4(2(BENZO(D)OXAZOL2YLTHIO)ACETYL)PIPERAZIN1YL)13DIMETHYL1HPURINE26(3H7H)DIONE
8(4(2BENZOXAZOL2YLTHIOACETYL)PIPERAZINYL)13DIMETHYL137TRIHYDROPURINE26DIONE
847586418
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=O)CSC4=NC5=CC=CC=C5O4
InChI=1SC20H21N7O4Sc1241615(17(29)25(2)20(24)30)2218(2316)279726(81027)14(28)1132192112534613(12)3119h36H711H212H3(H2223)
MFCD06243452
O=C(N1CCN(CC1)c1(nH)c2c(n1)n(C)c(=O)n(c2=O)C)CSc1nc2c(o1)cccc2
ZINC000001406427
ZINC01406427
ZINC1406427

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Available files

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