Vitas-M small molecule compound

7,7'-ethane-1,2-diylbis[8-(benzylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione]

Catalog ID
STK690704
SMILES Cn1c(=O)n(C)c2c(c1=O)n(CCn1c(NCc3ccccc3)nc3c1c(=O)n(C)c(=O)n3C)c(n2)NCc1ccccc1

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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 C30H32N10O4 MW 596.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N10O4/c1-35-23-21(25(41)37(3)29(35)43)39(27(33-23)31-17-19-11-7-5-8-12-19)15-16-40-22-24(36(2)30(44)38(4)26(22)42)34-28(40)32-18-20-13-9-6-10-14-20/h5-14H,15-18H2,1-4H3,(H,31,33)(H,32,34)
InChIKey
UKDYLAPDCVFKGR-UHFFFAOYSA-N
Synonyms

77ethane12diylbis(8(benzylamino)13dimethyl37dihydro1Hpurine26dione)
8(benzylamino)7(2(8(benzylamino)13dimethyl26dioxopurin7yl)ethyl)13dimethylpurine26dione
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CCN4C5=C(N=C4NCC6=CC=CC=C6)N(C(=O)N(C5=O)C)C
InChI=1SC30H32N10O4c1352321(25(41)37(3)29(35)43)39(27(3323)311719117581219)1516402224(36(2)30(44)38(4)26(22)42)3428(40)3218201396101420h514H1518H214H3(H3133)(H3234)
MFCD09063972
ZINC000100228288
ZINC100228288

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Available files

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