Vitas-M small molecule compound
2-methoxy-4-{(E)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-nitrobenzoate
Catalog ID
STK701696
SMILES COc1cc(ccc1OC(=O)c1cccc(c1)[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(18-7-4-3-5-8-18)27-24(29)23(36-26(27)35)14-17-11-12-21(22(13-17)33-2)34-25(30)19-9-6-10-20(15-19)28(31)32/h3-16H,1-2H3/b23-14+InChIKey
IIFIPPGHMIFQTH-OEAKJJBVSA-NSynonyms
(2METHOXY4((E)(4OXO3(1PHENYLETHYL)2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)3NITROBENZOATE
(Z)2methoxy4((4oxo3(1phenylethyl)2thioxothiazolidin5ylidene)methyl)phenyl3nitrobenzoate
2methoxy4((E)(4oxo3(1phenylethyl)2thioxo13thiazolidin5ylidene)methyl)phenyl3nitrobenzoate
CC(C1=CC=CC=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O))OC)SC2=S
COc1cc(ccc1OC(=O)c1cccc(c1)(N+)(=O)(O))C=C1SC(=S)N(C1=O)C(c1ccccc1)C
InChI=1SC26H20N2O6S2c116(187435818)2724(29)23(3626(27)35)1417111221(22(1317)332)3425(30)19961020(1519)28(31)32h316H12H3b2314+
MFCD03461589
ZINC000100299810
ZINC000100299817
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