Vitas-M small molecule compound

4-({[(2E)-2-{(2E)-[1-(3-bromo-4-methoxyphenyl)ethylidene]hydrazinylidene}-4-oxo-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid

Catalog ID
STK057371
SMILES COc1ccc(cc1Br)/C(=N/N=C/1\NC(=O)CC(S1)C(=O)Nc1ccc(cc1)C(=O)O)/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 C21H19BrN4O5S MW 519.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN4O5S/c1-11(13-5-8-16(31-2)15(22)9-13)25-26-21-24-18(27)10-17(32-21)19(28)23-14-6-3-12(4-7-14)20(29)30/h3-9,17H,10H2,1-2H3,(H,23,28)(H,29,30)(H,24,26,27)/b25-11+
InChIKey
GPERGNSLEJIMQO-OPEKNORGSA-N
Synonyms

4((((2E)2((2E)(1(3BROMO4METHOXYPHENYL)ETHYLIDENE)HYDRAZINYLIDENE)4OXO13THIAZINAN6YL)CARBONYL)AMINO)BENZOICACID
4((2((2E)2(1(3bromo4methoxyphenyl)ethylidene)hydrazinyl)4oxo56dihydro13thiazine6carbonyl)amino)benzoicacid
CC(=NNC1=NC(=O)CC(S1)C(=O)NC2=CC=C(C=C2)C(=O)O)C3=CC(=C(C=C3)OC)Br
COc1ccc(cc1Br)C(=NN=C1NC(=O)CC(S1)C(=O)Nc1ccc(cc1)C(=O)O)C
InChI=1SC21H19BrN4O5Sc111(135816(312)15(22)913)2526212418(27)1017(3221)19(28)23146312(4714)20(29)30h3917H10H212H3(H2328)(H2930)(H242627)b2511+
MFCD03057734
STK057371
ZINC000097958755
ZINC000097958756

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Available files

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