Vitas-M small molecule compound
N-{1-[5-({2-[(4-bromo-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide
Catalog ID
STK119501
SMILES O=C(Nc1ccc(cc1C)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 C23H26BrN5O2S MW 516.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26BrN5O2S/c1-14(2)20(26-22(31)16-8-6-5-7-9-16)21-27-28-23(29(21)4)32-13-19(30)25-18-11-10-17(24)12-15(18)3/h5-12,14,20H,13H2,1-4H3,(H,25,30)(H,26,31)InChIKey
OXUIJWJFJQSFOE-UHFFFAOYSA-NSynonyms
CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C)C(C(C)C)NC(=O)C3=CC=CC=C3
InChI=1SC23H26BrN5O2Sc114(2)20(2622(31)168657916)21272823(29(21)4)321319(30)2518111017(24)1215(18)3h5121420H13H214H3(H2530)(H2631)
MFCD03995718
N(1(5((2((4BROMO2METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)2METHYLPROPYL)BENZAMIDE
N(1(5(2(4BROMO2METHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)2METHYLPROPYL)BENZAMIDE
ZINC000001143380
ZINC000001143382
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