Vitas-M small molecule compound
8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK588992
SMILES OCCCn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2c1c(=O)n(c(=O)n2C)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 C22H29ClN6O3 MW 460.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29ClN6O3/c1-15-5-6-16(23)13-17(15)28-10-8-27(9-11-28)14-18-24-20-19(29(18)7-4-12-30)21(31)26(3)22(32)25(20)2/h5-6,13,30H,4,7-12,14H2,1-3H3InChIKey
OLJICTSSOHNPTO-UHFFFAOYSA-NSynonyms
893946-41-38((4(5chloro2methylphenyl)piperazin1yl)methyl)7(3hydroxypropyl)13dimethyl1Hpurine26(3H7H)dione
8((4(5chloro2methylphenyl)piperazin1yl)methyl)7(3hydroxypropyl)13dimethyl37dihydro1Hpurine26dione
8((4(5CHLORO2METHYLPHENYL)PIPERAZIN1YL)METHYL)7(3HYDROXYPROPYL)13DIMETHYLPURINE26DIONE
8((4(5CHLORO2METHYLPHENYL)PIPERAZINYL)METHYL)7(3HYDROXYPROPYL)13DIMETHYL137TRIHYDROPURINE26DIONE
893946413
CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3=NC4=C(N3CCCO)C(=O)N(C(=O)N4C)C
InChI=1SC22H29ClN6O3c1155616(23)1317(15)2810827(91128)1418242019(29(18)741230)21(31)26(3)22(32)25(20)2h561330H471214H213H3
MFCD06597242
ZINC000057120893
ZINC57120893
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