Vitas-M small molecule compound

2-{8-[4-(3-hydroxypropyl)piperazin-1-yl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}ethyl 3,4,5-trimethoxybenzoate

Catalog ID
STK531984
SMILES OCCCN1CCN(CC1)c1nc2c(n1C)c(=O)n(c(=O)n2C)CCOC(=O)c1cc(OC)c(c(c1)OC)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 C26H36N6O8 MW 560.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N6O8/c1-28-20-22(27-25(28)31-10-8-30(9-11-31)7-6-13-33)29(2)26(36)32(23(20)34)12-14-40-24(35)17-15-18(37-3)21(39-5)19(16-17)38-4/h15-16,33H,6-14H2,1-5H3
InChIKey
ZFACIJIDKWTGMF-UHFFFAOYSA-N
Synonyms

2(8(4(3hydroxypropyl)piperazin1yl)37dimethyl26dioxo2367tetrahydro1Hpurin1yl)ethyl345trimethoxybenzoate
2(8(4(3hydroxypropyl)piperazin1yl)37dimethyl26dioxo2367tetrahydro1Hpurin1yl)ethyl345trimethoxybenzoatehydrochloride
2(8(4(3HYDROXYPROPYL)PIPERAZIN1YL)37DIMETHYL26DIOXOPURIN1YL)ETHYL345TRIMETHOXYBENZOATE
CN1C2=C(N=C1N3CCN(CC3)CCCO)N(C(=O)N(C2=O)CCOC(=O)C4=CC(=C(C(=C4)OC)OC)OC)C
InChI=1SC26H36N6O8c1282022(2725(28)3110830(91131)761333)29(2)26(36)32(23(20)34)12144024(35)171518(373)21(395)19(1617)384h151633H614H215H3
MFCD02071672
OCCCN1CCN(CC1)c1nc2c(n1C)c(=O)n(c(=O)n2C)CCOC(=O)c1cc(OC)c(c(c1)OC)OCCl
ZINC000008426077
ZINC8426077

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Available files

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