Vitas-M small molecule compound
4-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-nitrobenzoate
Catalog ID
STK809252
SMILES CCCCCCN1C(=S)S/C(=C\c2ccc(cc2)OC(=O)c2ccc(cc2)[N+](=O)[O-])/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 C23H22N2O5S2 MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O5S2/c1-2-3-4-5-14-24-21(26)20(32-23(24)31)15-16-6-12-19(13-7-16)30-22(27)17-8-10-18(11-9-17)25(28)29/h6-13,15H,2-5,14H2,1H3/b20-15-InChIKey
WKPBGOGBBGXCRK-HKWRFOASSA-NSynonyms
(4((Z)(3HEXYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)4NITROBENZOATE
4((Z)(3hexyl4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl4nitrobenzoate
CCCCCCN1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O))SC1=S
CCCCCCN1C(=S)SC(=Cc2ccc(cc2)OC(=O)c2ccc(cc2)(N+)(=O)(O))C1=O
InChI=1SC23H22N2O5S2c12345142421(26)20(3223(24)31)151661219(13716)3022(27)1781018(11917)25(28)29h61315H2514H21H3b2015
MFCD03461303
ZINC000016790656
ZINC16790656
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