Vitas-M small molecule compound
(5Z)-5-{[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK809148
SMILES C=CCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)[N+](=O)[O-])c2ccccc2)/C1=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 C22H16N4O3S2 MW 448.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O3S2/c1-2-12-24-21(27)19(31-22(24)30)13-16-14-25(17-6-4-3-5-7-17)23-20(16)15-8-10-18(11-9-15)26(28)29/h2-11,13-14H,1,12H2/b19-13-InChIKey
AIGBOKDFGIBLQA-UYRXBGFRSA-NSynonyms
(5Z)5((3(4nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)3(prop2en1yl)2thioxo13thiazolidin4one
(5Z)5((3(4NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
C=CCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CC=C4)SC1=S
C=CCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)(N+)(=O)(O))c2ccccc2)C1=O
InChI=1SC22H16N4O3S2c12122421(27)19(3122(24)30)13161425(176435717)2320(16)1581018(11915)26(28)29h2111314H112H2b1913
MFCD03461214
ZINC000001454881
ZINC01454881
ZINC1454881
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