Vitas-M small molecule compound

2-(4-{(E)-[3-(4-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)-N-[2-(propan-2-yl)phenyl]acetamide

Catalog ID
STL358239
SMILES O=C(Nc1ccccc1C(C)C)COc1ccc(cc1)/C=C\1/SC(=O)N(C1=O)Cc1ccc(cc1)[N+](=O)[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 C28H25N3O6S MW 531.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O6S/c1-18(2)23-5-3-4-6-24(23)29-26(32)17-37-22-13-9-19(10-14-22)15-25-27(33)30(28(34)38-25)16-20-7-11-21(12-8-20)31(35)36/h3-15,18H,16-17H2,1-2H3,(H,29,32)/b25-15+
InChIKey
UTCGSUQGECUVAT-MFKUBSTISA-N
Synonyms

2(4((E)(3((4nitrophenyl)methyl)24dioxo13thiazolidin5ylidene)methyl)phenoxy)N(2propan2ylphenyl)acetamide
2(4((E)(3(4nitrobenzyl)24dioxo13thiazolidin5ylidene)methyl)phenoxy)N(2(propan2yl)phenyl)acetamide
CC(C)C1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)C=C3C(=O)N(C(=O)S3)CC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC28H25N3O6Sc118(2)23534624(23)2926(32)17372213919(101422)152527(33)30(28(34)3825)162071121(12820)31(35)36h31518H1617H212H3(H2932)b2515+
MFCD04085861
O=C(Nc1ccccc1C(C)C)COc1ccc(cc1)C=C1SC(=O)N(C1=O)Cc1ccc(cc1)(N+)(=O)(O)
ZINC000100360078
ZINC100360078

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Available files

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