Vitas-M small molecule compound
4-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
STL122935
SMILES O=C(Nc1ccc(c(c1)Cl)F)CSc1nnc(n1C)CNC(=O)c1ccc(cc1)Br
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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)11-2-4-12(20)5-3-11)25-26-19(27)30-10-17(28)24-13-6-7-15(22)14(21)8-13/h2-8H,9-10H2,1H3,(H,23,29)(H,24,28)InChIKey
XHZBLDIMDKOSKZ-UHFFFAOYSA-NSynonyms
4bromoN((5((2((3chloro4fluorophenyl)amino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)methyl)benzamide
4bromoN((5(2(3chloro4fluoroanilino)2oxoethyl)sulfanyl4methyl124triazol3yl)methyl)benzamide
CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl)CNC(=O)C3=CC=C(C=C3)Br
InChI=1SC19H16BrClFN5O2Sc12716(92318(29)112412(20)5311)252619(27)301017(28)24136715(22)14(21)813h28H910H21H3(H2329)(H2428)
MFCD17011028
ZINC000038536859
ZINC38536859
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