Vitas-M small molecule compound
3-[({[5-(2-{[(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
STL182107
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1CCNC(=O)c1ccccc1F
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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/c1-2-12-29-19(10-11-25-21(31)17-8-3-4-9-18(17)24)27-28-23(29)34-14-20(30)26-16-7-5-6-15(13-16)22(32)33/h2-9,13H,1,10-12,14H2,(H,25,31)(H,26,30)(H,32,33)InChIKey
SRJLUZCWJSATMV-UHFFFAOYSA-NSynonyms
1381853-13-91381853139
3((((5(2(((2fluorophenyl)carbonyl)amino)ethyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5(2((2fluorobenzoyl)amino)ethyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)CCNC(=O)C3=CC=CC=C3F
InChI=1SC23H22FN5O4Sc12122919(10112521(31)17834918(17)24)272823(29)341420(30)261675615(1316)22(32)33h2913H1101214H2(H2531)(H2630)(H3233)
MFCD22125436
ZINC000072191507
ZINC72191507
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