Vitas-M small molecule compound

7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK540170
SMILES OC(Cn1c(N/N=C/c2ccc(cc2)N(C)C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)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 C24H26ClN7O4 MW 511.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26ClN7O4/c1-30(2)17-8-4-15(5-9-17)12-26-29-23-27-21-20(22(34)28-24(35)31(21)3)32(23)13-18(33)14-36-19-10-6-16(25)7-11-19/h4-12,18,33H,13-14H2,1-3H3,(H,27,29)(H,28,34,35)/b26-12+
InChIKey
HEQCUEYDTMSOGJ-RPPGKUMJSA-N
Synonyms

(E)7(3(4chlorophenoxy)2hydroxypropyl)8(2(4(dimethylamino)benzylidene)hydrazinyl)3methyl1Hpurine26(3H7H)dione
7(3(4chlorophenoxy)2hydroxypropyl)8((2E)2((4(dimethylamino)phenyl)methylidene)hydrazinyl)3methylpurine26dione
7(3(4chlorophenoxy)2hydroxypropyl)8((2E)2(4(dimethylamino)benzylidene)hydrazinyl)3methyl37dihydro1Hpurine26dione
CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=C(C=C3)N(C)C)CC(COC4=CC=C(C=C4)Cl)O
InChI=1SC24H26ClN7O4c130(2)178415(5917)12262923272120(22(34)2824(35)31(21)3)32(23)1318(33)14361910616(25)71119h4121833H1314H213H3(H2729)(H283435)b2612+
MFCD02239516
OC(Cn1c(NN=Cc2ccc(cc2)N(C)C)nc2c1c(=O)(nH)c(=O)n2C)COc1ccc(cc1)Cl
ZINC000005360509
ZINC000005360512

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Available files

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