Vitas-M small molecule compound
N-(4-bromo-2-methylphenyl)-2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK697166
SMILES O=C(Nc1ccc(cc1C)Br)CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C
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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 C27H27BrN4OS MW 535.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27BrN4OS/c1-18-16-21(28)14-15-23(18)29-24(33)17-34-26-31-30-25(32(26)22-8-6-5-7-9-22)19-10-12-20(13-11-19)27(2,3)4/h5-16H,17H2,1-4H3,(H,29,33)InChIKey
JDDWXKJHYWXXJR-UHFFFAOYSA-NSynonyms
861640-25-72(5(4(TERTBUTYL)PHENYL)4PHENYL(124TRIAZOL3YLTHIO))N(4BROMO2METHYLPHENYL)ACETAMIDE
861640257
CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC27H27BrN4OSc1181621(28)141523(18)2924(33)173426313025(32(26)228657922)19101220(131119)27(23)4h516H17H214H3(H2933)
MFCD05685864
N(4bromo2methylphenyl)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)acetamide
N(4BROMO2METHYLPHENYL)2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4bromo2methylphenyl)2((5(4tertbutylphenyl)4phenyl4H124triazol3yl)sulfanyl)acetamide
ZINC000097958317
ZINC97958317
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