Vitas-M small molecule compound
2-{[5-benzyl-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2-methylphenyl)acetamide
Catalog ID
STL379571
SMILES COCCn1c(SCC(=O)Nc2ccc(cc2C)Br)nnc1Cc1ccccc1
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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 C21H23BrN4O2S MW 475.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN4O2S/c1-15-12-17(22)8-9-18(15)23-20(27)14-29-21-25-24-19(26(21)10-11-28-2)13-16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3,(H,23,27)InChIKey
PETJXPHPQADYIJ-UHFFFAOYSA-NSynonyms
2((5BENZYL4(2METHOXYETHYL)124TRIAZOL3YL)SULFANYL)N(4BROMO2METHYLPHENYL)ACETAMIDE
2((5benzyl4(2methoxyethyl)4H124triazol3yl)sulfanyl)N(4bromo2methylphenyl)acetamide
CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2CCOC)CC3=CC=CC=C3
InChI=1SC21H23BrN4O2Sc1151217(22)8918(15)2320(27)142921252419(26(21)1011282)13166435716h3912H10111314H212H3(H2327)
MFCD04210040
ZINC000002837803
ZINC02837803
ZINC2837803
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