Vitas-M small molecule compound

ethyl 4-(6-hydroxy-3-methyl-2-oxo-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-2H-purin-8-yl)piperazine-1-carboxylate

Catalog ID
STK567388
SMILES CCOC(=O)N1CCN(CC1)c1nc2c(n1CCSc1nnnn1c1ccccc1)c(O)nc(=O)n2C

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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 C22H26N10O4S MW 526.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N10O4S/c1-3-36-22(35)30-11-9-29(10-12-30)19-23-17-16(18(33)24-20(34)28(17)2)31(19)13-14-37-21-25-26-27-32(21)15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3,(H,24,33,34)
InChIKey
UQXJTANXOQQRFI-UHFFFAOYSA-N
Synonyms
713089-42-0
713089420
CCOC(=O)N1CCN(CC1)C2=NC3=C(N2CCSC4=NN=NN4C5=CC=CC=C5)C(=O)NC(=O)N3C
ETHYL4(3METHYL26DIOXO7(2(1PHENYLTETRAZOL5YL)SULFANYLETHYL)PURIN8YL)PIPERAZINE1CARBOXYLATE
ethyl4(6hydroxy3methyl2oxo7(2((1phenyl1Htetrazol5yl)sulfanyl)ethyl)37dihydro2Hpurin8yl)piperazine1carboxylate
InChI=1SC22H26N10O4Sc133622(35)3011929(101230)19231716(18(33)2420(34)28(17)2)31(19)1314372125262732(21)157546815h48H3914H212H3(H243334)
MFCD05725057
ZINC000096019797
ZINC96019797

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Available files

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