Vitas-M small molecule compound
2-[(5-{3-[(2-bromophenoxy)methyl]phenyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
Catalog ID
STK435067
SMILES CCn1c(SCC(=O)Nc2cccc(c2)[N+](=O)[O-])nnc1c1cccc(c1)COc1ccccc1Br
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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 C25H22BrN5O4S MW 568.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrN5O4S/c1-2-30-24(18-8-5-7-17(13-18)15-35-22-12-4-3-11-21(22)26)28-29-25(30)36-16-23(32)27-19-9-6-10-20(14-19)31(33)34/h3-14H,2,15-16H2,1H3,(H,27,32)InChIKey
CGGYXLAAKDTKPK-UHFFFAOYSA-NSynonyms
2((5(3((2BROMOPHENOXY)METHYL)PHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N(3NITROPHENYL)ACETAMIDE
2((5(3((2bromophenoxy)methyl)phenyl)4ethyl4H124triazol3yl)sulfanyl)N(3nitrophenyl)acetamide
2(5(3((2BROMOPHENOXY)METHYL)PHENYL)4ETHYL(124TRIAZOL3YLTHIO))N(3NITROPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)(N+)(=O)(O))C3=CC(=CC=C3)COC4=CC=CC=C4Br
CCn1c(SCC(=O)Nc2cccc(c2)(N+)(=O)(O))nnc1c1cccc(c1)COc1ccccc1Br
InChI=1SC25H22BrN5O4Sc123024(1885717(1318)15352212431121(22)26)282925(30)361623(32)2719961020(1419)31(33)34h314H21516H21H3(H2732)
MFCD03943045
ZINC000097948413
ZINC97948413
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