Vitas-M small molecule compound

N-(4-bromo-2,3-dimethylphenyl)-2-(2-methoxy-4-{(Z)-[3-(4-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetamide

Catalog ID
STL369958
SMILES COc1cc(ccc1OCC(=O)Nc1ccc(c(c1C)C)Br)/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 C28H24BrN3O7S MW 626.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24BrN3O7S/c1-16-17(2)22(10-9-21(16)29)30-26(33)15-39-23-11-6-19(12-24(23)38-3)13-25-27(34)31(28(35)40-25)14-18-4-7-20(8-5-18)32(36)37/h4-13H,14-15H2,1-3H3,(H,30,33)/b25-13-
InChIKey
PYIUBYQOPGNAFO-MXAYSNPKSA-N
Synonyms

CC1=C(C=CC(=C1C)Br)NC(=O)COC2=C(C=C(C=C2)C=C3C(=O)N(C(=O)S3)CC4=CC=C(C=C4)(N+)(=O)(O))OC
COc1cc(ccc1OCC(=O)Nc1ccc(c(c1C)C)Br)C=C1SC(=O)N(C1=O)Cc1ccc(cc1)(N+)(=O)(O)
InChI=1SC28H24BrN3O7Sc11617(2)22(10921(16)29)3026(33)15392311619(1224(23)383)132527(34)31(28(35)4025)14184720(8518)32(36)37h413H1415H213H3(H3033)b2513
MFCD04087084
N(4BROMO23DIMETHYLPHENYL)2(2METHOXY4((Z)(3((4NITROPHENYL)METHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)ACETAMIDE
N(4bromo23dimethylphenyl)2(2methoxy4((Z)(3(4nitrobenzyl)24dioxo13thiazolidin5ylidene)methyl)phenoxy)acetamide
ZINC000150385342
ZINC150385342

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Available files

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