Vitas-M small molecule compound

(5Z)-5-{[3-(2-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK799161
SMILES CCCOc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCc1ccccc1)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 C31H29N3O2S2 MW 539.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O2S2/c1-3-18-36-26-14-15-27(22(2)19-26)29-24(21-34(32-29)25-12-8-5-9-13-25)20-28-30(35)33(31(37)38-28)17-16-23-10-6-4-7-11-23/h4-15,19-21H,3,16-18H2,1-2H3/b28-20-
InChIKey
XHFYBTDCPGLAFB-RRAHZORUSA-N
Synonyms
955877-62-0
(5Z)5((3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(2phenylethyl)2thioxo13thiazolidin4one
(5Z)5((3(2methyl4propoxyphenyl)1phenylpyrazol4yl)methylidene)3(2phenylethyl)2sulfanylidene13thiazolidin4one
(5Z)5((3(2METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3PHENETHYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylene)3phenethyl2thioxothiazolidin4one
955877620
CCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC4=CC=CC=C4)C5=CC=CC=C5)C
CCCOc1ccc(c(c1)C)c1nn(cc1C=C1SC(=S)N(C1=O)CCc1ccccc1)c1ccccc1
InChI=1SC31H29N3O2S2c13183626141527(22(2)1926)2924(2134(3229)25128591325)202830(35)33(31(37)3828)171623106471123h4151921H31618H212H3b2820
MFCD03418442
ZINC000100839782
ZINC100839782

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Available files

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