Vitas-M small molecule compound
N-{[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-chlorobenzamide
Catalog ID
STK115625
SMILES CCn1c(SCC(=O)Nc2ccc(c(c2)Cl)Br)nnc1CNC(=O)c1ccc(cc1)Cl
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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 C20H18BrCl2N5O2S MW 543.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrCl2N5O2S/c1-2-28-17(10-24-19(30)12-3-5-13(22)6-4-12)26-27-20(28)31-11-18(29)25-14-7-8-15(21)16(23)9-14/h3-9H,2,10-11H2,1H3,(H,24,30)(H,25,29)InChIKey
RLKSXJYYBKSDIB-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Br)Cl)CNC(=O)C3=CC=C(C=C3)Cl
InChI=1SC20H18BrCl2N5O2Sc122817(102419(30)123513(22)6412)262720(28)311118(29)25147815(21)16(23)914h39H21011H21H3(H2430)(H2529)
MFCD04128179
N((5((2((4BROMO3CHLOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)METHYL)4CHLOROBENZAMIDE
N((5(2(4BROMO3CHLOROANILINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)METHYL)4CHLOROBENZAMIDE
ZINC000001132535
ZINC1132535
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