Vitas-M small molecule compound
3-[4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]phenyl thiophene-2-carboxylate
Catalog ID
STL444556
SMILES O=C(c1cccs1)Oc1cccc(c1)N1CCN(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 C22H22N6O4S MW 466.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O4S/c1-25-18-17(19(29)26(2)22(25)31)23-21(24-18)28-10-8-27(9-11-28)14-5-3-6-15(13-14)32-20(30)16-7-4-12-33-16/h3-7,12-13H,8-11H2,1-2H3,(H,23,24)InChIKey
JPRHNAFPZIEYBZ-UHFFFAOYSA-NSynonyms
(3(4(13DIMETHYL26DIOXO7HPURIN8YL)PIPERAZIN1YL)PHENYL)THIOPHENE2CARBOXYLATE
3(4(13DIMETHYL26DIOXO137TRIHYDROPURIN8YL)PIPERAZINYL)PHENYLTHIOPHENE2CARBOXYLATE
3(4(13dimethyl26dioxo2367tetrahydro1Hpurin8yl)piperazin1yl)phenylthiophene2carboxylate
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C4=CC(=CC=C4)OC(=O)C5=CC=CS5
InChI=1SC22H22N6O4Sc1251817(19(29)26(2)22(25)31)2321(2418)2810827(91128)1453615(1314)3220(30)1674123316h371213H811H212H3(H2324)
MFCD06243455
O=C(c1cccs1)Oc1cccc(c1)N1CCN(CC1)c1(nH)c2c(n1)n(C)c(=O)n(c2=O)C
ZINC000001406442
ZINC01406442
ZINC1406442
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