Vitas-M small molecule compound
4-[(E)-{(2E)-[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6,7,9-hexahydro-8H-purin-8-ylidene]hydrazinylidene}methyl]phenyl furan-2-carboxylate
Catalog ID
STK567935
SMILES O=C(c1ccco1)Oc1ccc(cc1)/C=N/N=c/1\[nH]c2c(n1Cc1ccccc1Cl)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 C26H21ClN6O5 MW 532.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN6O5/c1-31-22-21(23(34)32(2)26(31)36)33(15-17-6-3-4-7-19(17)27)25(29-22)30-28-14-16-9-11-18(12-10-16)38-24(35)20-8-5-13-37-20/h3-14H,15H2,1-2H3,(H,29,30)/b28-14+InChIKey
IDUHPEJOJCAKLB-CCVNUDIWSA-NSynonyms
(4((E)((7((2CHLOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)HYDRAZINYLIDENE)METHYL)PHENYL)FURAN2CARBOXYLATE
4((E)((2E)(7(2chlorobenzyl)13dimethyl26dioxo123679hexahydro8Hpurin8ylidene)hydrazinylidene)methyl)phenylfuran2carboxylate
713095262
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=C(C=C3)OC(=O)C4=CC=CO4)CC5=CC=CC=C5Cl
InChI=1SC26H21ClN6O5c1312221(23(34)32(2)26(31)36)33(1517634719(17)27)25(2922)3028141691118(121016)3824(35)2085133720h314H15H212H3(H2930)b2814+
MFCD05725910
O=C(c1ccco1)Oc1ccc(cc1)C=NN=c1(nH)c2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C
ZINC000008683382
ZINC73370861
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