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2-methoxy-4-{(E)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-nitrobenzoate

Catalog ID
STK701697
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)C(c1ccccc1)C

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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/c1-16(18-6-4-3-5-7-18)27-24(29)23(36-26(27)35)15-17-8-13-21(22(14-17)33-2)34-25(30)19-9-11-20(12-10-19)28(31)32/h3-16H,1-2H3/b23-15+
InChIKey
YHSOOHMVHBNLOY-HZHRSRAPSA-N
Synonyms
374617-50-2
(2METHOXY4((E)(4OXO3(1PHENYLETHYL)2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)4NITROBENZOATE
(E)2methoxy4((4oxo3(1phenylethyl)2thioxothiazolidin5ylidene)methyl)phenyl4nitrobenzoate
2METHOXY4(((5E)4OXO3(1PHENYLETHYL)2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL4NITROBENZOATE
2METHOXY4((4OXO3(1PHENYLETHYL)2THIOXOTHIAZOLIDIN5YLIDENE)METHYL)PHENYL4NITROBENZOATE
2methoxy4((E)(4oxo3(1phenylethyl)2thioxo13thiazolidin5ylidene)methyl)phenyl4nitrobenzoate
374617502
CC(C1=CC=CC=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC(=O)C4=CC=C(C=C4)(N+)(=O)(O))OC)SC2=S
COc1cc(ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O))C=C1SC(=S)N(C1=O)C(c1ccccc1)C
InChI=1SC26H20N2O6S2c116(186435718)2724(29)23(3626(27)35)151781321(22(1417)332)3425(30)1991120(121019)28(31)32h316H12H3b2315+
MFCD01960448
ZINC000100615158
ZINC000100615160

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Available files

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