Vitas-M small molecule compound
N-{[5-({2-[(4-bromo-3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
Catalog ID
STK133584
SMILES C=CCn1c(SCC(=O)Nc2ccc(c(c2)C)Br)nnc1CNC(=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 C22H21BrFN5O2S MW 518.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrFN5O2S/c1-3-10-29-19(12-25-21(31)16-6-4-5-7-18(16)24)27-28-22(29)32-13-20(30)26-15-8-9-17(23)14(2)11-15/h3-9,11H,1,10,12-13H2,2H3,(H,25,31)(H,26,30)InChIKey
JTMKJXVPCRLBDR-UHFFFAOYSA-NSynonyms
CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3F)Br
InChI=1SC22H21BrFN5O2Sc13102919(122521(31)16645718(16)24)272822(29)321320(30)26158917(23)14(2)1115h3911H1101213H22H3(H2531)(H2630)
MFCD04386751
N((5((2((4BROMO3METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)2FLUOROBENZAMIDE
N((5(2(4BROMO3METHYLANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)2FLUOROBENZAMIDE
ZINC000002859716
ZINC02859716
ZINC2859716
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