Vitas-M small molecule compound
7-[(2E)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL343858
SMILES C/C(=C\Cn1c(NCCc2ccccc2)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 C19H22ClN5O2 MW 387.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22ClN5O2/c1-13(20)10-12-25-15-16(23(2)19(27)24(3)17(15)26)22-18(25)21-11-9-14-7-5-4-6-8-14/h4-8,10H,9,11-12H2,1-3H3,(H,21,22)/b13-10+InChIKey
KWMZBBBMSTVLLF-JLHYYAGUSA-NSynonyms
1164490-16-7(E)7(3chlorobut2en1yl)13dimethyl8(phenethylamino)1Hpurine26(3H7H)dione
1164490167
7((2E)3chlorobut2en1yl)13dimethyl8((2phenylethyl)amino)37dihydro1Hpurine26dione
7((E)3CHLORANYLBUT2ENYL)13DIMETHYL8(2PHENYLETHYLAMINO)PURINE26DIONE
7((E)3CHLOROBUT2ENYL)13DIMETHYL8(2PHENYLETHYLAMINO)PURINE26DIONE
7((E)3CHLOROBUT2ENYL)13DIMETHYL8(PHENETHYLAMINO)PURINE26DIONE
7((E)3CHLOROBUT2ENYL)13DIMETHYL8(PHENETHYLAMINO)XANTHINE
CC(=CCn1c(NCCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)Cl
CC(=CCN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C)Cl
InChI=1SC19H22ClN5O2c113(20)1012251516(23(2)19(27)24(3)17(15)26)2218(25)21119147546814h4810H91112H213H3(H2122)b1310+
MFCD03933683
ZINC000012378393
ZINC12378393
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