Vitas-M small molecule compound
N-{1-[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide
Catalog ID
STK115912
SMILES O=C(Nc1ccc(c(c1)Cl)Br)CSc1nnc(n1C)C(C(C)C)NC(=O)c1ccccc1
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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 C22H23BrClN5O2S MW 536.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrClN5O2S/c1-13(2)19(26-21(31)14-7-5-4-6-8-14)20-27-28-22(29(20)3)32-12-18(30)25-15-9-10-16(23)17(24)11-15/h4-11,13,19H,12H2,1-3H3,(H,25,30)(H,26,31)InChIKey
KGJPOVLSYAUMPD-UHFFFAOYSA-NSynonyms
CC(C)C(C1=NN=C(N1C)SCC(=O)NC2=CC(=C(C=C2)Br)Cl)NC(=O)C3=CC=CC=C3
InChI=1SC22H23BrClN5O2Sc113(2)19(2621(31)147546814)20272822(29(20)3)321218(30)251591016(23)17(24)1115h4111319H12H213H3(H2530)(H2631)
MFCD04128373
N(1(5((2((4BROMO3CHLOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)2METHYLPROPYL)BENZAMIDE
N(1(5(2(4BROMO3CHLOROANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)2METHYLPROPYL)BENZAMIDE
ZINC000097994915
ZINC000097994916
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