Vitas-M small molecule compound
6-hydroxy-3-methyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-7-(3-phenylpropyl)-3,7-dihydro-2H-purin-2-one
Catalog ID
STK563385
SMILES Oc1nc(=O)n(c2c1n(CCCc1ccccc1)c(n2)SCCN1CCOCC1)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 C21H27N5O3S MW 429.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O3S/c1-24-18-17(19(27)23-20(24)28)26(9-5-8-16-6-3-2-4-7-16)21(22-18)30-15-12-25-10-13-29-14-11-25/h2-4,6-7H,5,8-15H2,1H3,(H,23,27,28)InChIKey
WAIRJPYCEDNBJB-UHFFFAOYSA-NSynonyms
442865-02-33METHYL8((2MORPHOLINOETHYL)THIO)7(3PHENYLPROPYL)1HPURINE26(3H7H)DIONE
3METHYL8(2MORPHOLIN4YLETHYLSULFANYL)7(3PHENYLPROPYL)PURINE26DIONE
3METHYL8(2MORPHOLIN4YLETHYLTHIO)7(3PHENYLPROPYL)137TRIHYDROPURINE26DIONE
442865023
6hydroxy3methyl8((2(morpholin4yl)ethyl)sulfanyl)7(3phenylpropyl)37dihydro2Hpurin2one
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCN3CCOCC3)CCCC4=CC=CC=C4
InChI=1SC21H27N5O3Sc1241817(19(27)2320(24)28)26(958166324716)21(2218)30151225101329141125h2467H5815H21H3(H232728)
MFCD03796233
ZINC000019973497
ZINC19973497
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