Vitas-M small molecule compound

5-bromo-N-{[2-(4-ethoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-2-methoxybenzamide

Catalog ID
STK035965
SMILES CCOc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1cc(Br)ccc1OC

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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 C24H22BrN5O3S MW 540.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22BrN5O3S/c1-4-33-17-8-6-16(7-9-17)30-28-20-11-14(2)19(13-21(20)29-30)26-24(34)27-23(31)18-12-15(25)5-10-22(18)32-3/h5-13H,4H2,1-3H3,(H2,26,27,31,34)
InChIKey
ZZEKNIPUSOUIRO-UHFFFAOYSA-N
Synonyms

(5BROMO2METHOXYPHENYL)N(((2(4ETHOXYPHENYL)6METHYL(2HYDROBENZOTRIAZOL5YL))AMINO)THIOXOMETHYL)CARBOXAMIDE
5BROMON((2(4ETHOXYPHENYL)6METHYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)2METHOXYBENZAMIDE
5BROMON((2(4ETHOXYPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)2METHOXYBENZAMIDE
CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)OC)C
CCOc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1cc(Br)ccc1OC
InChI=1SC24H22BrN5O3Sc1433178616(7917)3028201114(2)19(1321(20)2930)2624(34)2723(31)181215(25)51022(18)323h513H4H213H3(H226273134)
MFCD03014612
STK035965
ZINC000100265793
ZINC100265793

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Available files

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