Vitas-M small molecule compound

4-[({(2Z)-2-[(4-bromophenyl)imino]-3-methyl-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid

Catalog ID
STL000057
SMILES O=C(C1CC(=O)N(/C(=N/c2ccc(cc2)Br)/S1)C)Nc1ccc(cc1)C(=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 C19H16BrN3O4S MW 462.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16BrN3O4S/c1-23-16(24)10-15(28-19(23)22-14-8-4-12(20)5-9-14)17(25)21-13-6-2-11(3-7-13)18(26)27/h2-9,15H,10H2,1H3,(H,21,25)(H,26,27)/b22-19-
InChIKey
JBJHRNQJFZNFQQ-QOCHGBHMSA-N
Synonyms
470450-74-9
(Z)4(2((4bromophenyl)imino)3methyl4oxo13thiazinane6carboxamido)benzoicacid
4((((2Z)2((4bromophenyl)imino)3methyl4oxo13thiazinan6yl)carbonyl)amino)benzoicacid
470450749
MFCD02146562
O=C(C1CC(=O)N(C(=Nc2ccc(cc2)Br)S1)C)Nc1ccc(cc1)C(=O)O
ZINC000013423887
ZINC000013423888

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.