Vitas-M small molecule compound
(5Z)-5-{[3-(1,3-benzothiazol-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(3-ethoxypropyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK880767
SMILES CCOCCCN1C(=S)S/C(=C\c2cn(nc2c2nc3c(s2)cccc3)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 C25H22N4O2S3 MW 506.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O2S3/c1-2-31-14-8-13-28-24(30)21(34-25(28)32)15-17-16-29(18-9-4-3-5-10-18)27-22(17)23-26-19-11-6-7-12-20(19)33-23/h3-7,9-12,15-16H,2,8,13-14H2,1H3/b21-15-InChIKey
BXWRCAWJZJXYLX-QNGOZBTKSA-NSynonyms
957013-87-5(5Z)5((3(13benzothiazol2yl)1phenyl1Hpyrazol4yl)methylidene)3(3ethoxypropyl)2thioxo13thiazolidin4one
(5Z)5((3(13BENZOTHIAZOL2YL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(3ETHOXYPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
957013875
CCOCCCN1C(=O)C(=CC2=CN(N=C2C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)SC1=S
CCOCCCN1C(=S)SC(=Cc2cn(nc2c2nc3c(s2)cccc3)c2ccccc2)C1=O
InChI=1SC25H22N4O2S3c1231148132824(30)21(3425(28)32)15171629(1894351018)2722(17)23261911671220(19)3323h379121516H281314H21H3b2115
MFCD04441340
ZINC000002695229
ZINC02695229
ZINC2695229
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