Vitas-M small molecule compound
8-(3,4-dihydroisoquinolin-2(1H)-yl)-6-hydroxy-3-methyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-3,7-dihydro-2H-purin-2-one
Catalog ID
STK564349
SMILES Cc1nnc(s1)SCCn1c(nc2c1c(O)nc(=O)n2C)N1CCc2c(C1)cccc2
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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 C20H21N7O2S2 MW 455.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N7O2S2/c1-12-23-24-20(31-12)30-10-9-27-15-16(25(2)19(29)22-17(15)28)21-18(27)26-8-7-13-5-3-4-6-14(13)11-26/h3-6H,7-11H2,1-2H3,(H,22,28,29)InChIKey
WCAHJRBTNWEEFM-UHFFFAOYSA-NSynonyms
672944-93-3672944933
8(34DIHYDRO1HISOQUINOLIN2YL)3METHYL7(2((5METHYL134THIADIAZOL2YL)SULFANYL)ETHYL)PURINE26DIONE
8(34dihydroisoquinolin2(1H)yl)6hydroxy3methyl7(2((5methyl134thiadiazol2yl)sulfanyl)ethyl)37dihydro2Hpurin2one
CC1=NN=C(S1)SCCN2C3=C(N=C2N4CCC5=CC=CC=C5C4)N(C(=O)NC3=O)C
InChI=1SC20H21N7O2S2c112232420(3112)30109271516(25(2)19(29)2217(15)28)2118(27)268713534614(13)1126h36H711H212H3(H222829)
MFCD04078822
ZINC000001854628
ZINC01854628
ZINC1854628
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