Vitas-M small molecule compound
methyl 4-[7-hydroxy-3-methyl-1-(9H-purin-6-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoate
Catalog ID
STK650383
SMILES COC(=O)c1ccc(cc1)C1SCC(=Nc2c1c(C)nn2c1ncnc2c1nc[nH]2)O
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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 C20H17N7O3S MW 435.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N7O3S/c1-10-14-16(11-3-5-12(6-4-11)20(29)30-2)31-7-13(28)25-18(14)27(26-10)19-15-17(22-8-21-15)23-9-24-19/h3-6,8-9,16H,7H2,1-2H3,(H,25,28)(H,21,22,23,24)InChIKey
FMZQZRWHAJZJIN-UHFFFAOYSA-NSynonyms
1144435-54-01144435540
COC(=O)c1ccc(cc1)C1SCC(=Nc2c1c(C)nn2c1ncnc2c1nc(nH)2)O
methyl4(7hydroxy3methyl1(9Hpurin6yl)46dihydro1Hpyrazolo(34e)(14)thiazepin4yl)benzoate
MFCD18165596
ZINC000031808410
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