Vitas-M small molecule compound
methyl 3-({[4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate
Catalog ID
STK527380
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1nc3c(n1CC)c(=O)[nH]c(=O)n3C)cc(cc2)C
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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 C25H30N8O5 MW 522.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N8O5/c1-5-33-20-21(30(3)25(37)29-22(20)35)28-24(33)32-10-8-31(9-11-32)13-17(34)27-18-15-12-14(2)6-7-16(15)26-19(18)23(36)38-4/h6-7,12,26H,5,8-11,13H2,1-4H3,(H,27,34)(H,29,35,37)InChIKey
WKJDVXFWSDDDOG-UHFFFAOYSA-NSynonyms
371951-07-4371951074
CCN1C2=C(N=C1N3CCN(CC3)CC(=O)NC4=C(NC5=C4C=C(C=C5)C)C(=O)OC)N(C(=O)NC2=O)C
COC(=O)c1(nH)c2c(c1NC(=O)CN1CCN(CC1)c1nc3c(n1CC)c(=O)(nH)c(=O)n3C)cc(cc2)C
InChI=1SC25H30N8O5c15332021(30(3)25(37)2922(20)35)2824(33)3210831(91132)1317(34)2718151214(2)6716(15)2619(18)23(36)384h671226H581113H214H3(H2734)(H293537)
methyl3(((4(7ethyl3methyl26dioxo2367tetrahydro1Hpurin8yl)piperazin1yl)acetyl)amino)5methyl1Hindole2carboxylate
METHYL3((2(4(7ETHYL3METHYL26DIOXOPURIN8YL)PIPERAZIN1YL)ACETYL)AMINO)5METHYL1HINDOLE2CARBOXYLATE
methyl3(2(4(7ethyl3methyl26dioxo2367tetrahydro1Hpurin8yl)piperazin1yl)acetamido)5methyl1Hindole2carboxylate
MFCD01858078
ZINC000057050693
ZINC57050693
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.