Vitas-M small molecule compound
ethyl 4-({[(2E)-2-{(2E)-[1-(4-bromophenyl)ethylidene]hydrazinylidene}-4-oxo-1,3-thiazinan-6-yl]carbonyl}amino)benzoate
Catalog ID
STK052448
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C1CC(=O)N/C(=N\N=C(\c2ccc(cc2)Br)/C)/S1
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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 C22H21BrN4O4S MW 517.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN4O4S/c1-3-31-21(30)15-6-10-17(11-7-15)24-20(29)18-12-19(28)25-22(32-18)27-26-13(2)14-4-8-16(23)9-5-14/h4-11,18H,3,12H2,1-2H3,(H,24,29)(H,25,27,28)/b26-13+InChIKey
JGWLWVJDHIZQML-LGJNPRDNSA-NSynonyms
522636-94-8522636948
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N=C(S2)NN=C(C)C3=CC=C(C=C3)Br
CCOC(=O)c1ccc(cc1)NC(=O)C1CC(=O)NC(=NN=C(c2ccc(cc2)Br)C)S1
ETHYL4((((2E)2((2E)(1(4BROMOPHENYL)ETHYLIDENE)HYDRAZINYLIDENE)4OXO13THIAZINAN6YL)CARBONYL)AMINO)BENZOATE
ethyl4((2((2E)2(1(4bromophenyl)ethylidene)hydrazinyl)4oxo56dihydro13thiazine6carbonyl)amino)benzoate
ethyl4((E)2((E)(1(4bromophenyl)ethylidene)hydrazono)4oxo13thiazinane6carboxamido)benzoate
InChI=1SC22H21BrN4O4Sc133121(30)1561017(11715)2420(29)181219(28)2522(3218)272613(2)144816(23)9514h41118H312H212H3(H2429)(H252728)b2613+
MFCD03057575
STK052448
ZINC000009307533
ZINC000009307534
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