Vitas-M small molecule compound
(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK821648
SMILES COc1cc(CCN2C(=S)S/C(=C\c3cn(nc3c3cccc(c3)[N+](=O)[O-])c3ccccc3)/C2=O)ccc1OC
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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 C29H24N4O5S2 MW 572.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N4O5S2/c1-37-24-12-11-19(15-25(24)38-2)13-14-31-28(34)26(40-29(31)39)17-21-18-32(22-8-4-3-5-9-22)30-27(21)20-7-6-10-23(16-20)33(35)36/h3-12,15-18H,13-14H2,1-2H3/b26-17-InChIKey
UASFJMYIJBCFRQ-ONUIUJJFSA-NSynonyms
(5Z)3(2(34dimethoxyphenyl)ethyl)5((3(3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2(34dimethoxyphenyl)ethyl)5((3(3nitrophenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=CN(N=C3C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=CC=C5)SC2=S)OC
COc1cc(CCN2C(=S)SC(=Cc3cn(nc3c3cccc(c3)(N+)(=O)(O))c3ccccc3)C2=O)ccc1OC
InChI=1SC29H24N4O5S2c13724121119(1525(24)382)13143128(34)26(4029(31)39)17211832(228435922)3027(21)20761023(1620)33(35)36h3121518H1314H212H3b2617
MFCD03462913
ZINC000101331003
ZINC101331003
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