Vitas-M small molecule compound
8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK833688
SMILES CCCCCn1c(SC/C=C(\Cl)/C)nc2c1c(=O)[nH]c(=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 C15H21ClN4O2S MW 356.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H21ClN4O2S/c1-4-5-6-8-20-11-12(19(3)14(22)18-13(11)21)17-15(20)23-9-7-10(2)16/h7H,4-6,8-9H2,1-3H3,(H,18,21,22)/b10-7-InChIKey
ALCPSMHWYMPAIG-YFHOEESVSA-NSynonyms
330818-30-9(Z)8((3chlorobut2en1yl)thio)3methyl7pentyl1Hpurine26(3H7H)dione
330818309
8(((2Z)3chlorobut2en1yl)sulfanyl)3methyl7pentyl37dihydro1Hpurine26dione
8((2Z)3CHLOROBUT2ENYLTHIO)3METHYL7PENTYL137TRIHYDROPURINE26DIONE
8((3CHLORO2BUTENYL)SULFANYL)3METHYL7PENTYL37DIHYDRO1HPURINE26DIONE
8((Z)3CHLOROBUT2ENYL)SULFANYL3METHYL7PENTYLPURINE26DIONE
8(3CHLOROBUT2ENYLSULFANYL)3METHYL7PENTYL37DIHYDROPURINE26DIONE
CCCCCn1c(SCC=C(Cl)C)nc2c1c(=O)(nH)c(=O)n2C
CCCCCN1C2=C(N=C1SCC=C(C)Cl)N(C(=O)NC2=O)C
InChI=1SC15H21ClN4O2Sc14568201112(19(3)14(22)1813(11)21)1715(20)239710(2)16h7H4689H213H3(H182122)b107
MFCD00653103
ZINC000002067555
ZINC02067555
ZINC2067555
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