Vitas-M small molecule compound
6-hydroxy-7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-2H-purin-2-one
Catalog ID
STK595812
SMILES OC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)C)COc1ccc(cc1)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 C21H28N6O4 MW 428.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N6O4/c1-14-4-6-16(7-5-14)31-13-15(28)12-27-17-18(25(3)21(30)23-19(17)29)22-20(27)26-10-8-24(2)9-11-26/h4-7,15,28H,8-13H2,1-3H3,(H,23,29,30)InChIKey
BMCYERMGTRYYHR-UHFFFAOYSA-NSynonyms
877623-24-06hydroxy7(2hydroxy3(4methylphenoxy)propyl)3methyl8(4methylpiperazin1yl)37dihydro2Hpurin2one
7(2HYDROXY3(4METHYLPHENOXY)PROPYL)3METHYL8(4METHYLPIPERAZIN1YL)PURINE26DIONE
877623240
CC1=CC=C(C=C1)OCC(CN2C3=C(N=C2N4CCN(CC4)C)N(C(=O)NC3=O)C)O
InChI=1SC21H28N6O4c1144616(7514)311315(28)12271718(25(3)21(30)2319(17)29)2220(27)2610824(2)91126h471528H813H213H3(H232930)
MFCD07209371
ZINC000009014285
ZINC000009014855
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