Vitas-M small molecule compound
N-({5-[(2-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-4-methoxybenzamide
Catalog ID
STK117078
SMILES COc1ccc(cc1)C(=O)NCc1nnc(n1C)SCC(=O)Nc1ccc(cc1C(C)C)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 C23H26BrN5O3S MW 532.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26BrN5O3S/c1-14(2)18-11-16(24)7-10-19(18)26-21(30)13-33-23-28-27-20(29(23)3)12-25-22(31)15-5-8-17(32-4)9-6-15/h5-11,14H,12-13H2,1-4H3,(H,25,31)(H,26,30)InChIKey
MALCPRKEEMYFGB-UHFFFAOYSA-NSynonyms
CC(C)C1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=C(C=C3)OC
InChI=1SC23H26BrN5O3Sc114(2)181116(24)71019(18)2621(30)133323282720(29(23)3)122522(31)155817(324)9615h51114H1213H214H3(H2531)(H2630)
MFCD04128168
N((5((2((4BROMO2(PROPAN2YL)PHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)4METHOXYBENZAMIDE
N((5(2(4BROMO2PROPAN2YLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)4METHOXYBENZAMIDE
ZINC000002841852
ZINC2841852
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