Vitas-M small molecule compound
4-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 3,4-dichloro-1-benzothiophene-2-carboxylate
Catalog ID
STK821633
SMILES COc1cc(ccc1OC(=O)c1sc2c(c1Cl)c(Cl)ccc2)/C=C/1\SC(=S)N(C1=O)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 C26H21Cl2NO4S3 MW 578.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21Cl2NO4S3/c1-32-18-12-14(13-20-24(30)29(26(34)36-20)15-6-3-2-4-7-15)10-11-17(18)33-25(31)23-22(28)21-16(27)8-5-9-19(21)35-23/h5,8-13,15H,2-4,6-7H2,1H3/b20-13-InChIKey
PSMVUIKIRQTLRX-MOSHPQCFSA-NSynonyms
(4((Z)(3cyclohexyl4oxo2sulfanylidene13thiazolidin5ylidene)methyl)2methoxyphenyl)34dichloro1benzothiophene2carboxylate
4((Z)(3cyclohexyl4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenyl34dichloro1benzothiophene2carboxylate
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3CCCCC3)OC(=O)C4=C(C5=C(S4)C=CC=C5Cl)Cl
COc1cc(ccc1OC(=O)c1sc2c(c1Cl)c(Cl)ccc2)C=C1SC(=S)N(C1=O)C1CCCCC1
InChI=1SC26H21Cl2NO4S3c132181214(132024(30)29(26(34)3620)156324715)101117(18)3325(31)2322(28)2116(27)85919(21)3523h581315H2467H21H3b2013
MFCD03462909
ZINC000097946939
ZINC97946939
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