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]ethyl thiophene-2-carboxylate
Catalog ID
STK261814
SMILES O=C(c1cccs1)OCCN1CCN(CC1)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 C18H22N6O4S MW 418.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N6O4S/c1-21-14-13(15(25)22(2)18(21)27)19-17(20-14)24-7-5-23(6-8-24)9-10-28-16(26)12-4-3-11-29-12/h3-4,11H,5-10H2,1-2H3,(H,19,20)InChIKey
DSGRMWJKVCBFLN-UHFFFAOYSA-NSynonyms
847480-18-62(4(13DIMETHYL26DIOXO137TRIHYDROPURIN8YL)PIPERAZINYL)ETHYLTHIOPHENE2CARBOXYLATE
2(4(13dimethyl26dioxo2367tetrahydro1Hpurin8yl)piperazin1yl)ethylthiophene2carboxylate
2(4(13DIMETHYL26DIOXO7HPURIN8YL)PIPERAZIN1YL)ETHYLTHIOPHENE2CARBOXYLATE
847480186
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)CCOC(=O)C4=CC=CS4
InChI=1SC18H22N6O4Sc1211413(15(25)22(2)18(21)27)1917(2014)247523(6824)9102816(26)1243112912h3411H510H212H3(H1920)
MFCD06243449
O=C(c1cccs1)OCCN1CCN(CC1)c1(nH)c2c(n1)n(C)c(=O)n(c2=O)C
ZINC000054263483
ZINC54263483
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