Vitas-M small molecule compound

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

Catalog ID
STL182103
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1C(NC(=O)c1ccccc1F)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 C23H22FN5O4S MW 483.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22FN5O4S/c1-3-11-29-20(14(2)25-21(31)17-9-4-5-10-18(17)24)27-28-23(29)34-13-19(30)26-16-8-6-7-15(12-16)22(32)33/h3-10,12,14H,1,11,13H2,2H3,(H,25,31)(H,26,30)(H,32,33)
InChIKey
NSRLQXSPTCBSQK-UHFFFAOYSA-N
Synonyms

3((((5(1(((2fluorophenyl)carbonyl)amino)ethyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5(1((2fluorobenzoyl)amino)ethyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CC(C1=NN=C(N1CC=C)SCC(=O)NC2=CC=CC(=C2)C(=O)O)NC(=O)C3=CC=CC=C3F
InChI=1SC23H22FN5O4Sc13112920(14(2)2521(31)179451018(17)24)272823(29)341319(30)261686715(1216)22(32)33h3101214H11113H22H3(H2531)(H2630)(H3233)
MFCD22125421
ZINC000072191490
ZINC000072191491

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Available files

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