Vitas-M small molecule compound
7-[(2E)-3-chlorobut-2-en-1-yl]-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL005682
SMILES OCCCNc1nc2c(n1C/C=C(/Cl)\C)c(=O)n(c(=O)n2C)C
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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 C14H20ClN5O3 MW 341.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H20ClN5O3/c1-9(15)5-7-20-10-11(17-13(20)16-6-4-8-21)18(2)14(23)19(3)12(10)22/h5,21H,4,6-8H2,1-3H3,(H,16,17)/b9-5+InChIKey
WCTZYERUCKMLCH-WEVVVXLNSA-NSynonyms
478253-08-6(E)7(3chlorobut2en1yl)8((3hydroxypropyl)amino)13dimethyl1Hpurine26(3H7H)dione
478253086
7((2E)3chlorobut2en1yl)8((3hydroxypropyl)amino)13dimethyl37dihydro1Hpurine26dione
7((E)3CHLOROBUT2ENYL)8(3HYDROXYPROPYLAMINO)13DIMETHYLPURINE26DIONE
7(3CHLOROBUT2EN1YL)8((3HYDROXYPROPYL)AMINO)13DIMETHYL1HPURINE26(3H7H)DIONE
CC(=CCN1C2=C(N=C1NCCCO)N(C(=O)N(C2=O)C)C)Cl
InChI=1SC14H20ClN5O3c19(15)57201011(1713(20)1664821)18(2)14(23)19(3)12(10)22h521H468H213H3(H1617)b95+
MFCD03933703
OCCCNc1nc2c(n1CC=C(Cl)C)c(=O)n(c(=O)n2C)C
ZINC000004541175
ZINC04541175
ZINC4541175
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