Vitas-M small molecule compound
2-[4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]-N-(1H-indol-3-ylmethyl)acetamide
Catalog ID
STL441106
SMILES O=C(CN1CCN(CC1)c1[nH]c2c(n1)n(C)c(=O)n(c2=O)C)NCc1c[nH]c2c1cccc2
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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 C22H26N8O3 MW 450.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N8O3/c1-27-19-18(20(32)28(2)22(27)33)25-21(26-19)30-9-7-29(8-10-30)13-17(31)24-12-14-11-23-16-6-4-3-5-15(14)16/h3-6,11,23H,7-10,12-13H2,1-2H3,(H,24,31)(H,25,26)InChIKey
SJSRXASZBBMKAB-UHFFFAOYSA-NSynonyms
2(4(13dimethyl26dioxo2367tetrahydro1Hpurin8yl)piperazin1yl)N(1Hindol3ylmethyl)acetamide
2(4(13DIMETHYL26DIOXO7HPURIN8YL)PIPERAZIN1YL)N(1HINDOL3YLMETHYL)ACETAMIDE
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)CC(=O)NCC4=CNC5=CC=CC=C54
InChI=1SC22H26N8O3c1271918(20(32)28(2)22(27)33)2521(2619)309729(81030)1317(31)241214112316643515(14)16h361123H7101213H212H3(H2431)(H2526)
MFCD06243453
O=C(CN1CCN(CC1)c1(nH)c2c(n1)n(C)c(=O)n(c2=O)C)NCc1c(nH)c2c1cccc2
ZINC000071405511
ZINC71405511
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