Vitas-M small molecule compound

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

Catalog ID
STK833765
SMILES CC(CCn1c(SC/C=C(/Cl)\C)nc2c1c(=O)[nH]c(=O)n2C)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 C15H21ClN4O2S MW 356.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H21ClN4O2S/c1-9(2)5-7-20-11-12(19(4)14(22)18-13(11)21)17-15(20)23-8-6-10(3)16/h6,9H,5,7-8H2,1-4H3,(H,18,21,22)/b10-6+
InChIKey
XKMBAJLRBKRPDS-UXBLZVDNSA-N
Synonyms
313530-85-7
(E)8((3chlorobut2en1yl)thio)7isopentyl3methyl1Hpurine26(3H7H)dione
313530857
8(((2E)3chlorobut2en1yl)sulfanyl)3methyl7(3methylbutyl)37dihydro1Hpurine26dione
8((E)3chlorobut2enyl)sulfanyl3methyl7(3methylbutyl)purine26dione
CC(C)CCN1C2=C(N=C1SCC=C(C)Cl)N(C(=O)NC2=O)C
CC(CCn1c(SCC=C(Cl)C)nc2c1c(=O)(nH)c(=O)n2C)C
InChI=1SC15H21ClN4O2Sc19(2)57201112(19(4)14(22)1813(11)21)1715(20)238610(3)16h69H578H214H3(H182122)b106+
MFCD01942175
ZINC000012373953
ZINC12373953

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Available files

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