Vitas-M small molecule compound
(5Z)-5-(3,4-dimethoxybenzylidene)-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Catalog ID
STL054925
SMILES COc1cc(ccc1OC)/C=C/1\SC(=NC1=O)N1CCN(CC1)c1ccccc1[N+](=O)[O-]
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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 C22H22N4O5S MW 454.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O5S/c1-30-18-8-7-15(13-19(18)31-2)14-20-21(27)23-22(32-20)25-11-9-24(10-12-25)16-5-3-4-6-17(16)26(28)29/h3-8,13-14H,9-12H2,1-2H3/b20-14-InChIKey
NCFBLHYIJXVFSD-ZHZULCJRSA-NSynonyms
714941-70-5(5Z)5((34DIMETHOXYPHENYL)METHYLIDENE)2(4(2NITROPHENYL)PIPERAZIN1YL)13THIAZOL4ONE
(5Z)5(34dimethoxybenzylidene)2(4(2nitrophenyl)piperazin1yl)13thiazol4(5H)one
(Z)5(34dimethoxybenzylidene)2(4(2nitrophenyl)piperazin1yl)thiazol4(5H)one
714941705
COC1=C(C=C(C=C1)C=C2C(=O)N=C(S2)N3CCN(CC3)C4=CC=CC=C4(N+)(=O)(O))OC
COc1cc(ccc1OC)C=C1SC(=NC1=O)N1CCN(CC1)c1ccccc1(N+)(=O)(O)
InChI=1SC22H22N4O5Sc130188715(1319(18)312)142021(27)2322(3220)2511924(101225)16534617(16)26(28)29h381314H912H212H3b2014
MFCD04155147
ZINC000009009269
ZINC09009269
ZINC9009269
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