Vitas-M small molecule compound

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

Catalog ID
STK079127
SMILES COc1ccc(cc1)/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 C21H20N4O5S MW 440.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O5S/c1-12(13-5-9-16(30-2)10-6-13)24-25-21-23-18(26)11-17(31-21)19(27)22-15-7-3-14(4-8-15)20(28)29/h3-10,17H,11H2,1-2H3,(H,22,27)(H,28,29)(H,23,25,26)/b24-12+
InChIKey
XWSXQOGLUSDLNB-WYMPLXKRSA-N
Synonyms
492998-78-4
4((((2E)2((2E)(1(4METHOXYPHENYL)ETHYLIDENE)HYDRAZINYLIDENE)4OXO13THIAZINAN6YL)CARBONYL)AMINO)BENZOICACID
4((2((2E)2(1(4methoxyphenyl)ethylidene)hydrazinyl)4oxo56dihydro13thiazine6carbonyl)amino)benzoicacid
4((E)2((E)(1(4methoxyphenyl)ethylidene)hydrazono)4oxo13thiazinane6carboxamido)benzoicacid
492998784
CC(=NNC1=NC(=O)CC(S1)C(=O)NC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)OC
COc1ccc(cc1)C(=NN=C1NC(=O)CC(S1)C(=O)Nc1ccc(cc1)C(=O)O)C
InChI=1SC21H20N4O5Sc112(135916(302)10613)2425212318(26)1117(3121)19(27)22157314(4815)20(28)29h31017H11H212H3(H2227)(H2829)(H232526)b2412+
MFCD03056811
STK079127
ZINC000013424202
ZINC000013424203

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Available files

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