Vitas-M small molecule compound
8-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK262613
SMILES Clc1ccc(c(c1)N1CCN(CC1)c1[nH]c2c(n1)n(C)c(=O)n(c2=O)C)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 C18H21ClN6O2 MW 388.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21ClN6O2/c1-11-4-5-12(19)10-13(11)24-6-8-25(9-7-24)17-20-14-15(21-17)22(2)18(27)23(3)16(14)26/h4-5,10H,6-9H2,1-3H3,(H,20,21)InChIKey
KOXLXHAQIHKIJF-UHFFFAOYSA-NSynonyms
904523-11-18(4(5chloro2methylphenyl)piperazin1yl)13dimethyl37dihydro1Hpurine26dione
8(4(5chloro2methylphenyl)piperazin1yl)13dimethyl7Hpurine26dione
8(4(5CHLORO2METHYLPHENYL)PIPERAZINYL)13DIMETHYL137TRIHYDROPURINE26DIONE
904523111
CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C
Clc1ccc(c(c1)N1CCN(CC1)c1(nH)c2c(n1)n(C)c(=O)n(c2=O)C)C
InChI=1SC18H21ClN6O2c1114512(19)1013(11)246825(9724)17201415(2117)22(2)18(27)23(3)16(14)26h4510H69H213H3(H2021)
MFCD07037308
ZINC000009356368
ZINC09356368
ZINC9356368
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