Vitas-M small molecule compound
5-bromo-2-chloro-N-{[2-(4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}benzamide
Catalog ID
STK184620
SMILES COc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1cc(Br)ccc1Cl
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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 C22H17BrClN5O2S MW 530.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrClN5O2S/c1-12-9-19-20(28-29(27-19)14-4-6-15(31-2)7-5-14)11-18(12)25-22(32)26-21(30)16-10-13(23)3-8-17(16)24/h3-11H,1-2H3,(H2,25,26,30,32)InChIKey
CRTHGIFLIXQGOF-UHFFFAOYSA-NSynonyms
(5BROMO2CHLOROPHENYL)N(((2(4METHOXYPHENYL)6METHYL(2HYDROBENZOTRIAZOL5YL))AMINO)THIOXOMETHYL)CARBOXAMIDE
5BROMO2CHLORON((2(4METHOXYPHENYL)6METHYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
5BROMO2CHLORON((2(4METHOXYPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl)C4=CC=C(C=C4)OC
InChI=1SC22H17BrClN5O2Sc11291920(2829(2719)144615(312)7514)1118(12)2522(32)2621(30)161013(23)3817(16)24h311H12H3(H225263032)
MFCD03103032
ZINC000100313978
ZINC100313978
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