Vitas-M small molecule compound

ethyl 3-[({[5-({[(2-bromophenyl)carbonyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK218530
SMILES CCOC(=O)c1cccc(c1)NC(=O)CSc1nnc(n1C)CNC(=O)c1ccccc1Br

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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/c1-3-32-21(31)14-7-6-8-15(11-14)25-19(29)13-33-22-27-26-18(28(22)2)12-24-20(30)16-9-4-5-10-17(16)23/h4-11H,3,12-13H2,1-2H3,(H,24,30)(H,25,29)
InChIKey
FQXQJIJHYUBLSF-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3Br
ETHYL3((((5((((2BROMOPHENYL)CARBONYL)AMINO)METHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL3((2((5(((2BROMOBENZOYL)AMINO)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC22H22BrN5O4Sc133221(31)1476815(1114)2519(29)133322272618(28(22)2)122420(30)169451017(16)23h411H31213H212H3(H2430)(H2529)
MFCD07357947
ZINC000059612375
ZINC59612375

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Available files

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