Vitas-M small molecule compound
pentyl ({7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate
Catalog ID
STK529805
SMILES CCCCCOC(=O)CSc1nc2c(n1C/C=C(\Cl)/C)c(=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 C17H23ClN4O4S MW 414.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23ClN4O4S/c1-4-5-6-9-26-12(23)10-27-17-19-14-13(22(17)8-7-11(2)18)15(24)20-16(25)21(14)3/h7H,4-6,8-10H2,1-3H3,(H,20,24,25)/b11-7-InChIKey
IVVPEZWNFPSJBA-XFFZJAGNSA-NSynonyms
331726-01-3(Z)pentyl2((7(3chlorobut2en1yl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)acetate
331726013
CCCCCOC(=O)CSC1=NC2=C(N1CC=C(C)Cl)C(=O)NC(=O)N2C
CCCCCOC(=O)CSc1nc2c(n1CC=C(Cl)C)c(=O)(nH)c(=O)n2C
InChI=1SC17H23ClN4O4Sc145692612(23)102717191413(22(17)8711(2)18)15(24)2016(25)21(14)3h7H46810H213H3(H202425)b117
MFCD01079274
pentyl((7((2Z)3chlorobut2en1yl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetate
PENTYL2(7((2Z)3CHLOROBUT2ENYL)3METHYL26DIOXO137TRIHYDROPURIN8YLTHIO)ACETATE
PENTYL2(7((Z)3CHLOROBUT2ENYL)3METHYL26DIOXOPURIN8YL)SULFANYLACETATE
ZINC000013575049
ZINC13575049
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