Vitas-M small molecule compound
(5E)-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylidene}-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK813268
SMILES CCOc1ccc(cc1[N+](=O)[O-])c1nn(c(c1)/C=C\1/SC(=S)N(C1=O)CC1CCCO1)c1ccccc1
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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 C26H24N4O5S2 MW 536.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O5S2/c1-2-34-23-11-10-17(13-22(23)30(32)33)21-14-19(29(27-21)18-7-4-3-5-8-18)15-24-25(31)28(26(36)37-24)16-20-9-6-12-35-20/h3-5,7-8,10-11,13-15,20H,2,6,9,12,16H2,1H3/b24-15+InChIKey
GARJDIOTXYNEGZ-BUVRLJJBSA-NSynonyms
(5E)5((3(4ethoxy3nitrophenyl)1phenyl1Hpyrazol5yl)methylidene)3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin4one
(5E)5((5(4ETHOXY3NITROPHENYL)2PHENYLPYRAZOL3YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCOC1=C(C=C(C=C1)C2=NN(C(=C2)C=C3C(=O)N(C(=S)S3)CC4CCCO4)C5=CC=CC=C5)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))c1nn(c(c1)C=C1SC(=S)N(C1=O)CC1CCCO1)c1ccccc1
InChI=1SC26H24N4O5S2c123423111017(1322(23)30(32)33)211419(29(2721)187435818)152425(31)28(26(36)3724)162096123520h35781011131520H2691216H21H3b2415+
MFCD04441468
ZINC000100871260
ZINC000100871262
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