Vitas-M small molecule compound

8-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}guanosine

Catalog ID
STL529215
SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(SC/C=C/c2ccccc2)nc2c1nc(N)[nH]c2=O

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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 C19H21N5O5S MW 431.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O5S/c20-18-22-15-12(16(28)23-18)21-19(30-8-4-7-10-5-2-1-3-6-10)24(15)17-14(27)13(26)11(9-25)29-17/h1-7,11,13-14,17,25-27H,8-9H2,(H3,20,22,23,28)/b7-4+/t11-,13-,14-,17-/m1/s1
InChIKey
LERQYANQLBUZFN-URAQOHNESA-N
Synonyms

135639385
2amino8(cinnamylthio)9((2R3R4S5R)34dihydroxy5(hydroxymethyl)tetrahydrofuran2yl)1Hpurin6(9H)one
2amino9((2~(R)3~(R)4~(S)5~(R))34dihydroxy5(hydroxymethyl)oxolan2yl)8((~(E))3phenylprop2enyl)sulfanyl1~(H)purin6one
8(((2E)3phenylprop2en1yl)sulfanyl)guanosine
InChI=1SC19H21N5O5Sc2018221512(16(28)2318)2119(30847105213610)24(15)1714(27)13(26)11(925)2917h17111314172527H89H2(H320222328)b74+t11131417m1s1
MFCD04144655
OC(C@H)1O(C@H)((C@@H)((C@@H)1O)O)n1c(SCC=Cc2ccccc2)nc2c1nc(N)(nH)c2=O
ZINC000009109508
ZINC9109508

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.