Vitas-M small molecule compound

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

Catalog ID
STK030364
SMILES Clc1ccc(cc1)Cn1c(N/N=C(/C=C/c2ccccc2)\C)nc2c1c(=O)[nH]c(=O)n2C

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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 C23H21ClN6O2 MW 448.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN6O2/c1-15(8-9-16-6-4-3-5-7-16)27-28-22-25-20-19(21(31)26-23(32)29(20)2)30(22)14-17-10-12-18(24)13-11-17/h3-13H,14H2,1-2H3,(H,25,28)(H,26,31,32)/b9-8+,27-15+
InChIKey
GUBNWRYESCRAOS-ZRBCWEAUSA-N
Synonyms
303971-41-7
303971417
7((4chlorophenyl)methyl)3methyl8((2E)2((E)4phenylbut3en2ylidene)hydrazinyl)purine26dione
7(4CHLOROBENZYL)3METHYL8((2E)2((3E)4PHENYLBUT3EN2YLIDENE)HYDRAZINYL)37DIHYDRO1HPURINE26DIONE
7(4chlorobenzyl)3methyl8((E)2((E)4phenylbut3en2ylidene)hydrazinyl)1Hpurine26(3H7H)dione
CC(=NNC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C)C=CC4=CC=CC=C4
Clc1ccc(cc1)Cn1c(NN=C(C=Cc2ccccc2)C)nc2c1c(=O)(nH)c(=O)n2C
InChI=1SC23H21ClN6O2c115(89166435716)272822252019(21(31)2623(32)29(20)2)30(22)1417101218(24)131117h313H14H212H3(H2528)(H263132)b98+2715+
MFCD01142801
STK030364
ZINC000008809406
ZINC27832670

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Available files

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