Vitas-M small molecule compound

8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK833726
SMILES C/C(=C/CSc1nc2c(n1Cc1cccc(c1)C)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 C18H19ClN4O2S MW 390.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN4O2S/c1-11-5-4-6-13(9-11)10-23-14-15(22(3)17(25)21-16(14)24)20-18(23)26-8-7-12(2)19/h4-7,9H,8,10H2,1-3H3,(H,21,24,25)/b12-7-
InChIKey
SQDNSCUEIIVRGI-GHXNOFRVSA-N
Synonyms
332033-63-3
(Z)8((3chlorobut2en1yl)thio)3methyl7(3methylbenzyl)1Hpurine26(3H7H)dione
332033633
8(((2Z)3chlorobut2en1yl)sulfanyl)3methyl7(3methylbenzyl)37dihydro1Hpurine26dione
8((Z)3CHLOROBUT2ENYL)SULFANYL3METHYL7((3METHYLPHENYL)METHYL)PURINE26DIONE
CC(=CCSc1nc2c(n1Cc1cccc(c1)C)c(=O)(nH)c(=O)n2C)Cl
CC1=CC(=CC=C1)CN2C3=C(N=C2SCC=C(C)Cl)N(C(=O)NC3=O)C
InChI=1SC18H19ClN4O2Sc11154613(911)10231415(22(3)17(25)2116(14)24)2018(23)268712(2)19h479H810H213H3(H212425)b127
MFCD01555568
ZINC000013739063
ZINC13739063

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Available files

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