Vitas-M small molecule compound

(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK817086
SMILES COc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2)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 C28H21N3O4S2 MW 527.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O4S2/c1-33-22-10-8-19(9-11-22)26-20(16-31(29-26)21-5-3-2-4-6-21)14-25-27(32)30(28(36)37-25)15-18-7-12-23-24(13-18)35-17-34-23/h2-14,16H,15,17H2,1H3/b25-14-
InChIKey
PZZJQKRKOKNJKJ-QFEZKATASA-N
Synonyms
955876-23-0
(5Z)3(13benzodioxol5ylmethyl)5((3(4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(13BENZODIOXOL5YLMETHYL)5((3(4METHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(benzo(d)(13)dioxol5ylmethyl)5((3(4methoxyphenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
955876230
COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6
COc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2)c1ccccc1
InChI=1SC28H21N3O4S2c1332210819(91122)2620(1631(2926)215324621)142527(32)30(28(36)3725)15187122324(1318)35173423h21416H1517H21H3b2514
MFCD03213157
ZINC000100895998
ZINC100895998

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Available files

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