Vitas-M small molecule compound
methyl 3-[({[5-(1-{[(2-bromophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK139567
SMILES COC(=O)c1cccc(c1)NC(=O)CSc1nnc(n1C)C(NC(=O)c1ccccc1Br)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 C22H22BrN5O4S MW 532.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrN5O4S/c1-13(24-20(30)16-9-4-5-10-17(16)23)19-26-27-22(28(19)2)33-12-18(29)25-15-8-6-7-14(11-15)21(31)32-3/h4-11,13H,12H2,1-3H3,(H,24,30)(H,25,29)InChIKey
KLTWRNVJIYCAKM-UHFFFAOYSA-NSynonyms
CC(C1=NN=C(N1C)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)NC(=O)C3=CC=CC=C3Br
InChI=1SC22H22BrN5O4Sc113(2420(30)169451017(16)23)19262722(28(19)2)331218(29)251586714(1115)21(31)323h41113H12H213H3(H2430)(H2529)
METHYL3((((5(1(((2BROMOPHENYL)CARBONYL)AMINO)ETHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL3((2((5(1((2BROMOBENZOYL)AMINO)ETHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04400099
ZINC000001118095
ZINC000001118097
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