Vitas-M small molecule compound
1-{7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}piperidine-4-carboxamide
Catalog ID
STL337110
SMILES NC(=O)C1CCN(CC1)c1nc2c(n1CCSc1nc3c(o1)cccc3)c(=O)[nH]c(=O)n2C
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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 C21H23N7O4S MW 469.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N7O4S/c1-26-17-15(18(30)25-20(26)31)28(19(24-17)27-8-6-12(7-9-27)16(22)29)10-11-33-21-23-13-4-2-3-5-14(13)32-21/h2-5,12H,6-11H2,1H3,(H2,22,29)(H,25,30,31)InChIKey
FROGONQJGKJKLH-UHFFFAOYSA-NSynonyms
476482-76-51(7(2(13benzoxazol2ylsulfanyl)ethyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)piperidine4carboxamide
1(7(2(13BENZOXAZOL2YLSULFANYL)ETHYL)3METHYL26DIOXOPURIN8YL)PIPERIDINE4CARBOXAMIDE
1(7(2(benzo(d)oxazol2ylthio)ethyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)piperidine4carboxamide
1(7(2BENZOXAZOL2YLTHIOETHYL)3METHYL26DIOXO137TRIHYDROPURIN8YL)PIPERIDINE4CARBOXAMIDE
476482765
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)C(=O)N)CCSC4=NC5=CC=CC=C5O4
InChI=1SC21H23N7O4Sc1261715(18(30)2520(26)31)28(19(2417)278612(7927)16(22)29)101133212313423514(13)3221h2512H611H21H3(H22229)(H253031)
MFCD03671375
NC(=O)C1CCN(CC1)c1nc2c(n1CCSc1nc3c(o1)cccc3)c(=O)(nH)c(=O)n2C
ZINC000002203812
ZINC02203812
ZINC2203812
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.