Vitas-M small molecule compound
2-methoxy-4-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methoxybenzoate
Catalog ID
STK821711
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)OC)/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 C27H23NO5S2 MW 505.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23NO5S2/c1-31-21-11-9-20(10-12-21)26(30)33-22-13-8-19(16-23(22)32-2)17-24-25(29)28(27(34)35-24)15-14-18-6-4-3-5-7-18/h3-13,16-17H,14-15H2,1-2H3/b24-17-InChIKey
GXFGAHJNVVYOEZ-ULJHMMPZSA-NSynonyms
(2methoxy4((Z)(4oxo3(2phenylethyl)2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)4methoxybenzoate
2methoxy4((Z)(4oxo3(2phenylethyl)2thioxo13thiazolidin5ylidene)methyl)phenyl4methoxybenzoate
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCC4=CC=CC=C4)OC
COc1cc(ccc1OC(=O)c1ccc(cc1)OC)C=C1SC(=S)N(C1=O)CCc1ccccc1
InChI=1SC27H23NO5S2c1312111920(101221)26(30)332213819(1623(22)322)172425(29)28(27(34)3524)1514186435718h3131617H1415H212H3b2417
MFCD03462962
ZINC000026965693
ZINC26965693
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