Vitas-M small molecule compound

3-[({[5-({[(2-bromophenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid

Catalog ID
STL182102
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1CNC(=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 C22H20BrN5O4S MW 530.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN5O4S/c1-2-10-28-18(12-24-20(30)16-8-3-4-9-17(16)23)26-27-22(28)33-13-19(29)25-15-7-5-6-14(11-15)21(31)32/h2-9,11H,1,10,12-13H2,(H,24,30)(H,25,29)(H,31,32)
InChIKey
CUFJZNJHRUGJFA-UHFFFAOYSA-N
Synonyms

3((((5((((2bromophenyl)carbonyl)amino)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5(((2bromobenzoyl)amino)methyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)CNC(=O)C3=CC=CC=C3Br
InChI=1SC22H20BrN5O4Sc12102818(122420(30)16834917(16)23)262722(28)331319(29)251575614(1115)21(31)32h2911H1101213H2(H2430)(H2529)(H3132)
MFCD22125435
ZINC000101327763
ZINC101327763

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Available files

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