Vitas-M small molecule compound

7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK557593
SMILES CCN1CCN(CC1)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 C22H27N7O3S MW 469.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N7O3S/c1-4-27-9-11-28(12-10-27)20-24-18-17(19(30)26(3)22(31)25(18)2)29(20)13-14-33-21-23-15-7-5-6-8-16(15)32-21/h5-8H,4,9-14H2,1-3H3
InChIKey
JXZNWHOSLRWBHD-UHFFFAOYSA-N
Synonyms
501352-43-8
501352438
7(2(13benzoxazol2ylsulfanyl)ethyl)8(4ethylpiperazin1yl)13dimethyl37dihydro1Hpurine26dione
7(2(13BENZOXAZOL2YLSULFANYL)ETHYL)8(4ETHYLPIPERAZIN1YL)13DIMETHYLPURINE26DIONE
7(2(BENZO(D)OXAZOL2YLTHIO)ETHYL)8(4ETHYLPIPERAZIN1YL)13DIMETHYL1HPURINE26(3H7H)DIONE
7(2BENZOXAZOL2YLTHIOETHYL)8(4ETHYLPIPERAZINYL)13DIMETHYL137TRIHYDROPURINE26DIONE
CCN1CCN(CC1)C2=NC3=C(N2CCSC4=NC5=CC=CC=C5O4)C(=O)N(C(=O)N3C)C
InChI=1SC22H27N7O3Sc142791128(121027)20241817(19(30)26(3)22(31)25(18)2)29(20)131433212315756816(15)3221h58H4914H213H3
MFCD04026387
ZINC000008778682
ZINC8778682

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Available files

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