Vitas-M small molecule compound
3-[({[5-(1-{[(2-bromophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK202159
SMILES O=C(Nc1cccc(c1)C(=O)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 C21H20BrN5O4S MW 518.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN5O4S/c1-12(23-19(29)15-8-3-4-9-16(15)22)18-25-26-21(27(18)2)32-11-17(28)24-14-7-5-6-13(10-14)20(30)31/h3-10,12H,11H2,1-2H3,(H,23,29)(H,24,28)(H,30,31)InChIKey
DNRBKBIRFDTCKZ-UHFFFAOYSA-NSynonyms
3((((5(1(((2BROMOPHENYL)CARBONYL)AMINO)ETHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
3((2((5(1((2bromobenzoyl)amino)ethyl)4methyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CC(C1=NN=C(N1C)SCC(=O)NC2=CC=CC(=C2)C(=O)O)NC(=O)C3=CC=CC=C3Br
InChI=1SC21H20BrN5O4Sc112(2319(29)15834916(15)22)18252621(27(18)2)321117(28)241475613(1014)20(30)31h31012H11H212H3(H2329)(H2428)(H3031)
MFCD04331441
ZINC000009944322
ZINC000009944323
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