Vitas-M small molecule compound
7-[(2E)-but-2-en-1-yl]-6-hydroxy-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-2H-purin-2-one
Catalog ID
STL046270
SMILES C/C=C/Cn1c(SCC(=O)C)nc2c1c(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 C13H16N4O3S MW 308.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4O3S/c1-4-5-6-17-9-10(14-13(17)21-7-8(2)18)16(3)12(20)15-11(9)19/h4-5H,6-7H2,1-3H3,(H,15,19,20)/b5-4+InChIKey
JRHNGGJRDWEGEE-SNAWJCMRSA-NSynonyms
304880-54-4304880544
7((2E)but2en1yl)6hydroxy3methyl8((2oxopropyl)sulfanyl)37dihydro2Hpurin2one
7((E)BUT2ENYL)3METHYL8(2OXOPROPYLSULFANYL)PURINE26DIONE
CC=CCn1c(SCC(=O)C)nc2c1c(O)nc(=O)n2C
CC=CCN1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C
InChI=1SC13H16N4O3Sc145617910(1413(17)2178(2)18)16(3)12(20)1511(9)19h45H67H213H3(H151920)b54+
MFCD03802245
ZINC000013512095
ZINC13512095
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