Vitas-M small molecule compound

8-[(3-chloro-2-hydroxypropyl)sulfanyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK537831
SMILES ClCC(CSc1nc2c(n1CC(=C)C)c(=O)n(c(=O)n2C)C)O

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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 C14H19ClN4O3S MW 358.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19ClN4O3S/c1-8(2)6-19-10-11(16-13(19)23-7-9(20)5-15)17(3)14(22)18(4)12(10)21/h9,20H,1,5-7H2,2-4H3
InChIKey
NCNYCYXLHRODKN-UHFFFAOYSA-N
Synonyms

8(((2R)3CHLORO2HYDROXYPROPYL)SULFANYL)13DIMETHYL7(2METHYLPROP2EN1YL)37DIHYDRO1HPURINE26DIONE
8((3chloro2hydroxypropyl)sulfanyl)13dimethyl7(2methylprop2en1yl)37dihydro1Hpurine26dione
8((3chloro2hydroxypropyl)thio)13dimethyl7(2methylallyl)1Hpurine26(3H7H)dione
8(3CHLORO2HYDROXYPROPYL)SULFANYL13DIMETHYL7(2METHYLPROP2ENYL)PURINE26DIONE
CC(=C)CN1C2=C(N=C1SCC(CCl)O)N(C(=O)N(C2=O)C)C
InChI=1SC14H19ClN4O3Sc18(2)6191011(1613(19)2379(20)515)17(3)14(22)18(4)12(10)21h920H157H224H3
MFCD01960563
ZINC000001244278
ZINC000001244279

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Available files

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