Vitas-M small molecule compound
2-methoxy-4-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-nitrobenzoate
Catalog ID
STK821712
SMILES COc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])/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 C26H20N2O6S2 MW 520.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O6S2/c1-33-22-14-18(10-11-21(22)34-25(30)19-8-5-9-20(16-19)28(31)32)15-23-24(29)27(26(35)36-23)13-12-17-6-3-2-4-7-17/h2-11,14-16H,12-13H2,1H3/b23-15-InChIKey
ZMDDJVMBGIZMCJ-HAHDFKILSA-NSynonyms
(2methoxy4((Z)(4oxo3(2phenylethyl)2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)3nitrobenzoate
2methoxy4((Z)(4oxo3(2phenylethyl)2thioxo13thiazolidin5ylidene)methyl)phenyl3nitrobenzoate
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CCC3=CC=CC=C3)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
COc1cc(ccc1OC(=O)c1cccc(c1)(N+)(=O)(O))C=C1SC(=S)N(C1=O)CCc1ccccc1
InChI=1SC26H20N2O6S2c133221418(101121(22)3425(30)1985920(1619)28(31)32)152324(29)27(26(35)3623)1312176324717h2111416H1213H21H3b2315
MFCD01458165
ZINC000100299828
ZINC100299828
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