Vitas-M small molecule compound
2-[(5-{3-[(2-bromophenoxy)methyl]phenyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide
Catalog ID
STK435091
SMILES CCn1c(SCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl)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 C25H21BrClN5O4S MW 602.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrClN5O4S/c1-2-31-24(17-7-5-6-16(12-17)14-36-22-9-4-3-8-19(22)26)29-30-25(31)37-15-23(33)28-18-10-11-20(27)21(13-18)32(34)35/h3-13H,2,14-15H2,1H3,(H,28,33)InChIKey
JDEYERFZYNCREM-UHFFFAOYSA-NSynonyms
2((5(3((2BROMOPHENOXY)METHYL)PHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N(4CHLORO3NITROPHENYL)ACETAMIDE
2((5(3((2bromophenoxy)methyl)phenyl)4ethyl4H124triazol3yl)sulfanyl)N(4chloro3nitrophenyl)acetamide
2(5(3((2BROMOPHENOXY)METHYL)PHENYL)4ETHYL(124TRIAZOL3YLTHIO))N(4CHLORO3NITROPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)(N+)(=O)(O))C3=CC(=CC=C3)COC4=CC=CC=C4Br
CCn1c(SCC(=O)Nc2ccc(c(c2)(N+)(=O)(O))Cl)nnc1c1cccc(c1)COc1ccccc1Br
InChI=1SC25H21BrClN5O4Sc123124(1775616(1217)143622943819(22)26)293025(31)371523(33)2818101120(27)21(1318)32(34)35h313H21415H21H3(H2833)
MFCD03942979
ZINC000097948773
ZINC97948773
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