Vitas-M small molecule compound

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

Catalog ID
STK070163
SMILES OC(Cn1c(N/N=C/C=C/c2ccccc2)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 C24H23ClN6O4 MW 494.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23ClN6O4/c1-30-21-20(22(33)28-24(30)34)31(14-18(32)15-35-19-11-9-17(25)10-12-19)23(27-21)29-26-13-5-8-16-6-3-2-4-7-16/h2-13,18,32H,14-15H2,1H3,(H,27,29)(H,28,33,34)/b8-5+,26-13+
InChIKey
SJYGYJDAWBKZTL-LBHGFGGSSA-N
Synonyms
305868-09-1
305868091
7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)3METHYL8((2E)2((2E)3PHENYLPROP2EN1YLIDENE)HYDRAZINYL)37DIHYDRO1HPURINE26DIONE
7(3(4chlorophenoxy)2hydroxypropyl)3methyl8((2E)2((E)3phenylprop2enylidene)hydrazinyl)purine26dione
7(3(4chlorophenoxy)2hydroxypropyl)3methyl8((E)2((E)3phenylallylidene)hydrazinyl)1Hpurine26(3H7H)dione
CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC=CC3=CC=CC=C3)CC(COC4=CC=C(C=C4)Cl)O
InChI=1SC24H23ClN6O4c1302120(22(33)2824(30)34)31(1418(32)15351911917(25)101219)23(2721)29261358166324716h2131832H1415H21H3(H2729)(H283334)b85+2613+
MFCD01554001
OC(Cn1c(NN=CC=Cc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C)COc1ccc(cc1)Cl
STK070163
ZINC000005351413
ZINC000008642807

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Available files

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