Vitas-M small molecule compound
1,3-dimethyl-7-{2-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL525910
SMILES Cn1c(=O)n(C)c2c(c1=O)n(CCN1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)cn2
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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 C20H24N6O3 MW 396.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N6O3/c1-22-18-17(19(28)23(2)20(22)29)25(12-21-18)7-6-24-9-13-8-14(11-24)15-4-3-5-16(27)26(15)10-13/h3-5,12-14H,6-11H2,1-2H3/t13-,14-/m0/s1InChIKey
CCWSJFITBQNYMS-KBPBESRZSA-NSynonyms
1212432035
13dimethyl7(2((1~(S)9~(S))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)ethyl)purine26dione
13dimethyl7(2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)ethyl)1Hpurine26(3H7H)dione
13dimethyl7(2((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)37dihydro1Hpurine26dione
16396077
Cn1c(=O)n(C)c2c(c1=O)n(CCN1C(C@@H)3C(C@H)(C1)c1n(C3)c(=O)ccc1)cn2
InChI=1SC20H24N6O3c1221817(19(28)23(2)20(22)29)25(122118)7624913814(1124)1543516(27)26(15)1013h351214H611H212H3t1314m0s1
MFCD01547565
ZINC000100742889
ZINC100742889
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