Vitas-M small molecule compound

7-[(2E)-3-chlorobut-2-en-1-yl]-8-[(furan-2-ylmethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL006067
SMILES C/C(=C\Cn1c(NCc2ccco2)nc2c1c(=O)n(c(=O)n2C)C)/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 C16H18ClN5O3 MW 363.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18ClN5O3/c1-10(17)6-7-22-12-13(20(2)16(24)21(3)14(12)23)19-15(22)18-9-11-5-4-8-25-11/h4-6,8H,7,9H2,1-3H3,(H,18,19)/b10-6+
InChIKey
VYMUQVYLUJGOGK-UXBLZVDNSA-N
Synonyms

(E)7(3chlorobut2en1yl)8((furan2ylmethyl)amino)13dimethyl1Hpurine26(3H7H)dione
7((2E)3chlorobut2en1yl)8((furan2ylmethyl)amino)13dimethyl37dihydro1Hpurine26dione
7((E)3CHLOROBUT2ENYL)8(FURAN2YLMETHYLAMINO)13DIMETHYLPURINE26DIONE
CC(=CCn1c(NCc2ccco2)nc2c1c(=O)n(c(=O)n2C)C)Cl
CC(=CCN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)N(C2=O)C)C)Cl
InChI=1SC16H18ClN5O3c110(17)67221213(20(2)16(24)21(3)14(12)23)1915(22)189115482511h468H79H213H3(H1819)b106+
MFCD03933682
ZINC000012378392
ZINC12378392

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Available files

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