Vitas-M small molecule compound
7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL006803
SMILES Cn1c(=O)n(C)c2c(c1=O)n(CCSc1nc3c(o1)cccc3)c(n2)N1CCCC1
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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 C20H22N6O3S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N6O3S/c1-23-16-15(17(27)24(2)20(23)28)26(18(22-16)25-9-5-6-10-25)11-12-30-19-21-13-7-3-4-8-14(13)29-19/h3-4,7-8H,5-6,9-12H2,1-2H3InChIKey
ZZJXJJSXINSOLQ-UHFFFAOYSA-NSynonyms
501352-37-0501352370
7(2(13benzoxazol2ylsulfanyl)ethyl)13dimethyl8(pyrrolidin1yl)37dihydro1Hpurine26dione
7(2(13BENZOXAZOL2YLSULFANYL)ETHYL)13DIMETHYL8PYRROLIDIN1YLPURINE26DIONE
7(2(BENZO(D)OXAZOL2YLTHIO)ETHYL)13DIMETHYL8(PYRROLIDIN1YL)1HPURINE26(3H7H)DIONE
7(2BENZOXAZOL2YLTHIOETHYL)13DIMETHYL8PYRROLIDINYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CCSC4=NC5=CC=CC=C5O4
InChI=1SC20H22N6O3Sc1231615(17(27)24(2)20(23)28)26(18(2216)259561025)111230192113734814(13)2919h3478H56912H212H3
MFCD04009814
ZINC000000808428
ZINC00808428
ZINC808428
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