Vitas-M small molecule compound

8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL003823
SMILES C=CCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCN(CC1)c1ccc(cc1)OC

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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 C21H26N6O3 MW 410.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N6O3/c1-5-10-27-17-18(23(2)21(29)24(3)19(17)28)22-20(27)26-13-11-25(12-14-26)15-6-8-16(30-4)9-7-15/h5-9H,1,10-14H2,2-4H3
InChIKey
ICMWLVOUWBOHEE-UHFFFAOYSA-N
Synonyms
797775-42-9
797775429
7allyl8(4(4methoxyphenyl)piperazin1yl)13dimethyl1Hpurine26(3H7H)dione
8(4(4methoxyphenyl)piperazin1yl)13dimethyl7(prop2en1yl)37dihydro1Hpurine26dione
8(4(4METHOXYPHENYL)PIPERAZIN1YL)13DIMETHYL7PROP2ENYLPURINE26DIONE
8(4(4METHOXYPHENYL)PIPERAZINYL)13DIMETHYL7PROP2ENYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CC=C
InChI=1SC21H26N6O3c1510271718(23(2)21(29)24(3)19(17)28)2220(27)26131125(121426)156816(304)9715h59H11014H224H3
MFCD04176404
ZINC000000812590
ZINC00812590
ZINC812590

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Available files

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