Vitas-M small molecule compound
(5E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK813267
SMILES CCOc1ccc(cc1[N+](=O)[O-])c1nn(c(c1)/C=C\1/SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC)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 C31H28N4O6S2 MW 616.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O6S2/c1-4-41-26-13-11-21(17-25(26)35(37)38)24-18-23(34(32-24)22-8-6-5-7-9-22)19-29-30(36)33(31(42)43-29)15-14-20-10-12-27(39-2)28(16-20)40-3/h5-13,16-19H,4,14-15H2,1-3H3/b29-19+InChIKey
LFIWNXGWZFAYRF-VUTHCHCSSA-NSynonyms
(5E)3(2(34dimethoxyphenyl)ethyl)5((3(4ethoxy3nitrophenyl)1phenyl1Hpyrazol5yl)methylidene)2thioxo13thiazolidin4one
(5E)3(2(34DIMETHOXYPHENYL)ETHYL)5((5(4ETHOXY3NITROPHENYL)2PHENYLPYRAZOL3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCOC1=C(C=C(C=C1)C2=NN(C(=C2)C=C3C(=O)N(C(=S)S3)CCC4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))c1nn(c(c1)C=C1SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC)c1ccccc1
InChI=1SC31H28N4O6S2c144126131121(1725(26)35(37)38)241823(34(3224)228657922)192930(36)33(31(42)4329)151420101227(392)28(1620)403h5131619H41415H213H3b2919+
MFCD04441467
ZINC000100871257
ZINC100871257
Check stock
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Check stock on Vitas-MAvailable files
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