Vitas-M small molecule compound
8-{4-[2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl}-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK528463
SMILES CCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)CC(=O)c1c2ccccc2n(c1C)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 C25H31N7O3 MW 477.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N7O3/c1-5-10-32-21-22(29(4)25(35)27-23(21)34)26-24(32)31-13-11-30(12-14-31)15-19(33)20-16(2)28(3)18-9-7-6-8-17(18)20/h6-9H,5,10-15H2,1-4H3,(H,27,34,35)InChIKey
AADHGWGGROCAHV-UHFFFAOYSA-NSynonyms
368432637
8(4(2(12dimethyl1Hindol3yl)2oxoethyl)piperazin1yl)3methyl7propyl1Hpurine26(3H7H)dione
8(4(2(12dimethyl1Hindol3yl)2oxoethyl)piperazin1yl)3methyl7propyl37dihydro1Hpurine26dione
8(4(2(12DIMETHYLINDOL3YL)2OXOETHYL)PIPERAZIN1YL)3METHYL7PROPYLPURINE26DIONE
CCCn1c(nc2c1c(=O)(nH)c(=O)n2C)N1CCN(CC1)CC(=O)c1c2ccccc2n(c1C)C
CCCN1C2=C(N=C1N3CCN(CC3)CC(=O)C4=C(N(C5=CC=CC=C54)C)C)N(C(=O)NC2=O)C
InChI=1SC25H31N7O3c1510322122(29(4)25(35)2723(21)34)2624(32)31131130(121431)1519(33)2016(2)28(3)18976817(18)20h69H51015H214H3(H273435)
MFCD01552619
ZINC000017440323
ZINC17440323
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