Vitas-M small molecule compound
2-methoxy-4-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate
Catalog ID
STK821639
SMILES COc1cc(ccc1OC(=O)c1sc2c(c1Cl)cccc2)/C=C/1\SC(=S)N(C1=O)CCc1ccccc1
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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 C28H20ClNO4S3 MW 566.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20ClNO4S3/c1-33-21-15-18(16-23-26(31)30(28(35)37-23)14-13-17-7-3-2-4-8-17)11-12-20(21)34-27(32)25-24(29)19-9-5-6-10-22(19)36-25/h2-12,15-16H,13-14H2,1H3/b23-16-InChIKey
DUKZHPXWVQKUMV-KQWNVCNZSA-NSynonyms
(2methoxy4((Z)(4oxo3(2phenylethyl)2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)3chloro1benzothiophene2carboxylate
2methoxy4((Z)(4oxo3(2phenylethyl)2thioxo13thiazolidin5ylidene)methyl)phenyl3chloro1benzothiophene2carboxylate
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CCC3=CC=CC=C3)OC(=O)C4=C(C5=CC=CC=C5S4)Cl
COc1cc(ccc1OC(=O)c1sc2c(c1Cl)cccc2)C=C1SC(=S)N(C1=O)CCc1ccccc1
InChI=1SC28H20ClNO4S3c133211518(162326(31)30(28(35)3723)1413177324817)111220(21)3427(32)2524(29)199561022(19)3625h2121516H1314H21H3b2316
MFCD01458173
ZINC000097946940
ZINC97946940
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