Vitas-M small molecule compound
2-bromo-N-{[5-({2-[(3-chloro-4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK186809
SMILES O=C(Nc1ccc(c(c1)Cl)F)CSc1nnc(n1C)CNC(=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 C19H16BrClFN5O2S MW 512.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16BrClFN5O2S/c1-27-16(9-23-18(29)12-4-2-3-5-13(12)20)25-26-19(27)30-10-17(28)24-11-6-7-15(22)14(21)8-11/h2-8H,9-10H2,1H3,(H,23,29)(H,24,28)InChIKey
UALHERHUSHVOBW-UHFFFAOYSA-NSynonyms
2BROMON((5((2((3CHLORO4FLUOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
2BROMON((5(2(3CHLORO4FLUOROANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)BENZAMIDE
2BROMON(5((3CHLORO4FLUOROPHENYLCARBAMOYL)METHYLSULFANYL)4METHYL4H(124)TRIAZOL3YLMETHYL)BENZAMIDE
CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl)CNC(=O)C3=CC=CC=C3Br
InChI=1SC19H16BrClFN5O2Sc12716(92318(29)12423513(12)20)252619(27)301017(28)24116715(22)14(21)811h28H910H21H3(H2329)(H2428)
MFCD05998984
ZINC000002867124
ZINC02867124
ZINC2867124
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