Vitas-M small molecule compound
7-(4-chlorobenzyl)-8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL006856
SMILES C/C(=C/CSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C)/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 C18H18Cl2N4O2S MW 425.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18Cl2N4O2S/c1-11(19)8-9-27-17-21-15-14(16(25)23(3)18(26)22(15)2)24(17)10-12-4-6-13(20)7-5-12/h4-8H,9-10H2,1-3H3/b11-8-InChIKey
MYBJCODJQYZTEA-FLIBITNWSA-NSynonyms
478252-53-8(Z)7(4chlorobenzyl)8((3chlorobut2en1yl)thio)13dimethyl1Hpurine26(3H7H)dione
478252538
7(4chlorobenzyl)8(((2Z)3chlorobut2en1yl)sulfanyl)13dimethyl37dihydro1Hpurine26dione
7(4CHLOROBENZYL)8((3CHLOROBUT2EN1YL)THIO)13DIMETHYL1HPURINE26(3H7H)DIONE
8((Z)3CHLOROBUT2ENYL)SULFANYL7((4CHLOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
CC(=CCSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)N(C(=O)N2C)C)Cl
CC(=CCSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C)Cl
InChI=1SC18H18Cl2N4O2Sc111(19)892717211514(16(25)23(3)18(26)22(15)2)24(17)10124613(20)7512h48H910H213H3b118
MFCD03933531
ZINC000006301153
ZINC06301153
ZINC6301153
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