Vitas-M small molecule compound

(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK701709
SMILES CCOc1ccc(cc1)c1nn(cc1/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 C31H29N3O4S2 MW 571.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O4S2/c1-4-38-25-13-11-22(12-14-25)29-23(20-34(32-29)24-8-6-5-7-9-24)19-28-30(35)33(31(39)40-28)17-16-21-10-15-26(36-2)27(18-21)37-3/h5-15,18-20H,4,16-17H2,1-3H3/b28-19-
InChIKey
WKKSIPDOVKNRFX-USHMODERSA-N
Synonyms

(5Z)3(2(34dimethoxyphenyl)ethyl)5((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2(34DIMETHOXYPHENYL)ETHYL)5((3(4ETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(34dimethoxyphenethyl)5((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5
CCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC)c1ccccc1
InChI=1SC31H29N3O4S2c143825131122(121425)2923(2034(3229)248657924)192830(35)33(31(39)4028)171621101526(362)27(1821)373h5151820H41617H213H3b2819
MFCD01952431
ZINC000097946356
ZINC97946356

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Available files

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