Vitas-M small molecule compound
N-{1-[5-({2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-2-fluorobenzamide
Catalog ID
STL182182
SMILES C=CCn1c(SCC(=O)Nc2sc(c(n2)C)C)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 C21H23FN6O2S2 MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23FN6O2S2/c1-5-10-28-18(13(3)23-19(30)15-8-6-7-9-16(15)22)26-27-21(28)31-11-17(29)25-20-24-12(2)14(4)32-20/h5-9,13H,1,10-11H2,2-4H3,(H,23,30)(H,24,25,29)InChIKey
FISYVSCAIXGNMG-UHFFFAOYSA-NSynonyms
CC1=C(SC(=N1)NC(=O)CSC2=NN=C(N2CC=C)C(C)NC(=O)C3=CC=CC=C3F)C
InChI=1SC21H23FN6O2S2c15102818(13(3)2319(30)15867916(15)22)262721(28)311117(29)25202412(2)14(4)3220h5913H11011H224H3(H2330)(H242529)
MFCD22125641
N(1(5((2((45dimethyl13thiazol2yl)amino)2oxoethyl)sulfanyl)4(prop2en1yl)4H124triazol3yl)ethyl)2fluorobenzamide
N(1(5(2((45dimethyl13thiazol2yl)amino)2oxoethyl)sulfanyl4prop2enyl124triazol3yl)ethyl)2fluorobenzamide
ZINC000072191816
ZINC000072191817
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