Vitas-M small molecule compound
(5Z)-5-{[3-(1,3-benzothiazol-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK880769
SMILES CCCCCCCCN1C(=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 C28H28N4OS3 MW 532.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4OS3/c1-2-3-4-5-6-12-17-31-27(33)24(36-28(31)34)18-20-19-32(21-13-8-7-9-14-21)30-25(20)26-29-22-15-10-11-16-23(22)35-26/h7-11,13-16,18-19H,2-6,12,17H2,1H3/b24-18-InChIKey
IUWRXIHJEYGOCQ-MOHJPFBDSA-NSynonyms
(5Z)5((3(13benzothiazol2yl)1phenyl1Hpyrazol4yl)methylidene)3octyl2thioxo13thiazolidin4one
(5Z)5((3(13BENZOTHIAZOL2YL)1PHENYLPYRAZOL4YL)METHYLIDENE)3OCTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2nc3c(s2)cccc3)c2ccccc2)C1=O
InChI=1SC28H28N4OS3c12345612173127(33)24(3628(31)34)18201932(21138791421)3025(20)2629221510111623(22)3526h71113161819H261217H21H3b2418
MFCD04441342
ZINC000097946499
ZINC97946499
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