Vitas-M small molecule compound

7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK848239
SMILES CC1CCCN(C1)c1nc2c(n1CCSc1nc3c(o1)cccc3)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 C22H26N6O3S MW 454.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N6O3S/c1-14-7-6-10-27(13-14)20-24-18-17(19(29)26(3)22(30)25(18)2)28(20)11-12-32-21-23-15-8-4-5-9-16(15)31-21/h4-5,8-9,14H,6-7,10-13H2,1-3H3
InChIKey
ZTMTWLOBJBSHOC-UHFFFAOYSA-N
Synonyms
850914-54-4
7(2(13benzoxazol2ylsulfanyl)ethyl)13dimethyl8(3methylpiperidin1yl)37dihydro1Hpurine26dione
7(2(13BENZOXAZOL2YLSULFANYL)ETHYL)13DIMETHYL8(3METHYLPIPERIDIN1YL)PURINE26DIONE
7(2(BENZO(D)OXAZOL2YLTHIO)ETHYL)13DIMETHYL8(3METHYLPIPERIDIN1YL)1HPURINE26(3H7H)DIONE
7(2BENZOXAZOL2YLTHIOETHYL)13DIMETHYL8(3METHYLPIPERIDYL)137TRIHYDROPURINE26DIONE
850914544
CC1CCCN(C1)C2=NC3=C(N2CCSC4=NC5=CC=CC=C5O4)C(=O)N(C(=O)N3C)C
InChI=1SC22H26N6O3Sc114761027(1314)20241817(19(29)26(3)22(30)25(18)2)28(20)111232212315845916(15)3121h458914H671013H213H3
MFCD04456926
ZINC000017440286
ZINC000017440287

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Available files

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