Vitas-M small molecule compound
[1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidin-3-yl]methyl thiophene-2-carboxylate
Catalog ID
STK207312
SMILES O=C(c1cccs1)OCC1CCCN(C1)c1[nH]c2c(n1)n(C)c(=O)n(c2=O)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 C18H21N5O4S MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N5O4S/c1-21-14-13(15(24)22(2)18(21)26)19-17(20-14)23-7-3-5-11(9-23)10-27-16(25)12-6-4-8-28-12/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,19,20)InChIKey
QKCJUCGQQPPYNU-UHFFFAOYSA-NSynonyms
(1(13DIMETHYL26DIOXO137TRIHYDROPURIN8YL)3PIPERIDYL)METHYLTHIOPHENE2CARBOXYLATE
(1(13dimethyl26dioxo2367tetrahydro1Hpurin8yl)piperidin3yl)methylthiophene2carboxylate
(1(13DIMETHYL26DIOXO7HPURIN8YL)PIPERIDIN3YL)METHYLTHIOPHENE2CARBOXYLATE
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCCC(C3)COC(=O)C4=CC=CS4
InChI=1SC18H21N5O4Sc1211413(15(24)22(2)18(21)26)1917(2014)2373511(923)102716(25)126482812h46811H357910H212H3(H1920)
MFCD06240505
O=C(c1cccs1)OCC1CCCN(C1)c1(nH)c2c(n1)n(C)c(=O)n(c2=O)C
ZINC000001409328
ZINC000001409330
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