Vitas-M small molecule compound
7-[(2Z)-3-chlorobut-2-en-1-yl]-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK067600
SMILES C/C(=C\CSc1nc2c(n1C/C=C(\Cl)/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 C14H16Cl2N4O2S MW 375.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16Cl2N4O2S/c1-8(15)4-6-20-10-11(19(3)13(22)18-12(10)21)17-14(20)23-7-5-9(2)16/h4-5H,6-7H2,1-3H3,(H,18,21,22)/b8-4-,9-5+InChIKey
AJPCDTNVOWVUTL-MVTUOISNSA-NSynonyms
331726-14-8331726148
7((2Z)3CHLOROBUT2EN1YL)8(((2E)3CHLOROBUT2EN1YL)SULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7((Z)3chlorobut2en1yl)8(((E)3chlorobut2en1yl)thio)3methyl1Hpurine26(3H7H)dione
7((Z)3CHLOROBUT2ENYL)8((E)3CHLOROBUT2ENYL)SULFANYL3METHYLPURINE26DIONE
CC(=CCN1C2=C(N=C1SCC=C(C)Cl)N(C(=O)NC2=O)C)Cl
CC(=CCSc1nc2c(n1CC=C(Cl)C)c(=O)(nH)c(=O)n2C)Cl
InChI=1SC14H16Cl2N4O2Sc18(15)46201011(19(3)13(22)1812(10)21)1714(20)23759(2)16h45H67H213H3(H182122)b8495+
MFCD01557556
STK067600
ZINC000000829830
ZINC00829830
ZINC829830
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