Vitas-M small molecule compound
8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK834802
SMILES C/C(=C\CSc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C)/Cl
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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 C19H21ClN4O2S MW 404.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN4O2S/c1-13(20)10-12-27-19-21-16-15(17(25)22-18(26)23(16)2)24(19)11-6-9-14-7-4-3-5-8-14/h3-5,7-8,10H,6,9,11-12H2,1-2H3,(H,22,25,26)/b13-10+InChIKey
TVUMUNNPBGYCFL-JLHYYAGUSA-NSynonyms
(E)8((3chlorobut2en1yl)thio)3methyl7(3phenylpropyl)1Hpurine26(3H7H)dione
8(((2E)3chlorobut2en1yl)sulfanyl)3methyl7(3phenylpropyl)37dihydro1Hpurine26dione
8((E)3CHLOROBUT2ENYL)SULFANYL3METHYL7(3PHENYLPROPYL)PURINE26DIONE
CC(=CCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C)Cl
CC(=CCSc1nc2c(n1CCCc1ccccc1)c(=O)(nH)c(=O)n2C)Cl
InChI=1SC19H21ClN4O2Sc113(20)10122719211615(17(25)2218(26)23(16)2)24(19)1169147435814h357810H691112H212H3(H222526)b1310+
MFCD01558728
ZINC000012539104
ZINC12539104
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