Vitas-M small molecule compound
2-{[5-(4-bromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Catalog ID
STK435064
SMILES CCn1c(SCC(=O)Nc2cccc(c2)[N+](=O)[O-])nnc1c1scc(c1)Br
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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 C16H14BrN5O3S2 MW 468.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14BrN5O3S2/c1-2-21-15(13-6-10(17)8-26-13)19-20-16(21)27-9-14(23)18-11-4-3-5-12(7-11)22(24)25/h3-8H,2,9H2,1H3,(H,18,23)InChIKey
HQOKJRAKJKQEGX-UHFFFAOYSA-NSynonyms
2((5(4BROMOTHIOPHEN2YL)4ETHYL124TRIAZOL3YL)SULFANYL)N(3NITROPHENYL)ACETAMIDE
2((5(4bromothiophen2yl)4ethyl4H124triazol3yl)sulfanyl)N(3nitrophenyl)acetamide
2(5(4BROMO(2THIENYL))4ETHYL(124TRIAZOL3YLTHIO))N(3NITROPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)(N+)(=O)(O))C3=CC(=CS3)Br
CCn1c(SCC(=O)Nc2cccc(c2)(N+)(=O)(O))nnc1c1scc(c1)Br
InChI=1SC16H14BrN5O3S2c122115(13610(17)82613)192016(21)27914(23)181143512(711)22(24)25h38H29H21H3(H1823)
MFCD03943042
ZINC000020214697
ZINC20214697
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