Vitas-M small molecule compound
8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK849744
SMILES OCCN1CCN(CC1)c1nc2c(n1CCSc1nnc(s1)C)c(=O)n(c(=O)n2C)C
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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 C18H26N8O3S2 MW 466.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H26N8O3S2/c1-12-20-21-17(31-12)30-11-9-26-13-14(22(2)18(29)23(3)15(13)28)19-16(26)25-6-4-24(5-7-25)8-10-27/h27H,4-11H2,1-3H3InChIKey
VOPPLGYWBBLIDW-UHFFFAOYSA-NSynonyms
850914-93-18(4(2hydroxyethyl)piperazin1yl)13dimethyl7(2((5methyl134thiadiazol2yl)sulfanyl)ethyl)37dihydro1Hpurine26dione
8(4(2HYDROXYETHYL)PIPERAZIN1YL)13DIMETHYL7(2((5METHYL134THIADIAZOL2YL)SULFANYL)ETHYL)PURINE26DIONE
8(4(2HYDROXYETHYL)PIPERAZIN1YL)13DIMETHYL7(2((5METHYL134THIADIAZOL2YL)THIO)ETHYL)1HPURINE26(3H7H)DIONE
8(4(2HYDROXYETHYL)PIPERAZINYL)13DIMETHYL7(2(5METHYL(134THIADIAZOL2YLTHIO))ETHYL)137TRIHYDROPURINE26DIONE
850914931
CC1=NN=C(S1)SCCN2C3=C(N=C2N4CCN(CC4)CCO)N(C(=O)N(C3=O)C)C
InChI=1SC18H26N8O3S2c112202117(3112)30119261314(22(2)18(29)23(3)15(13)28)1916(26)256424(5725)81027h27H411H213H3
MFCD04456967
ZINC000020533424
ZINC20533424
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