Vitas-M small molecule compound

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

Catalog ID
STK594774
SMILES NC(=O)C1CCN(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 C21H24N10O3S MW 496.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N10O3S/c1-28-17-15(18(33)24-20(28)34)30(19(23-17)29-9-7-13(8-10-29)16(22)32)11-12-35-21-25-26-27-31(21)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H2,22,32)(H,24,33,34)
InChIKey
PEKSUBRYHSZKQB-UHFFFAOYSA-N
Synonyms
476482-44-7
1(3METHYL26DIOXO7(2(1PHENYLTETRAZOL5YL)SULFANYLETHYL)PURIN8YL)PIPERIDINE4CARBOXAMIDE
1(6hydroxy3methyl2oxo7(2((1phenyl1Htetrazol5yl)sulfanyl)ethyl)37dihydro2Hpurin8yl)piperidine4carboxamide
476482447
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)C(=O)N)CCSC4=NN=NN4C5=CC=CC=C5
InChI=1SC21H24N10O3Sc1281715(18(33)2420(28)34)30(19(2317)299713(81029)16(22)32)1112352125262731(21)145324614h2613H712H21H3(H22232)(H243334)
MFCD07208557
ZINC000002202042
ZINC02202042
ZINC2202042

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Available files

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