Vitas-M small molecule compound

2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone

Catalog ID
STL049477
SMILES Clc1cccc(c1)c1nnc(n1C)SCC(=O)c1ccc(cc1)[N+](=O)[O-]

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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 C17H13ClN4O3S MW 388.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN4O3S/c1-21-16(12-3-2-4-13(18)9-12)19-20-17(21)26-10-15(23)11-5-7-14(8-6-11)22(24)25/h2-9H,10H2,1H3
InChIKey
WIIGJULNGPXVNN-UHFFFAOYSA-N
Synonyms
879454-27-0
2((5(3CHLOROPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
2((5(3chlorophenyl)4methyl4H124triazol3yl)sulfanyl)1(4nitrophenyl)ethanone
2((5(3chlorophenyl)4methyl4H124triazol3yl)thio)1(4nitrophenyl)ethanone
2(5(3CHLOROPHENYL)4METHYL4H124TRIAZOL3YLTHIO)1(4NITROPHENYL)ETHANONE
879454270
Clc1cccc(c1)c1nnc(n1C)SCC(=O)c1ccc(cc1)(N+)(=O)(O)
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)(N+)(=O)(O))C3=CC(=CC=C3)Cl
InChI=1SC17H13ClN4O3Sc12116(1232413(18)912)192017(21)261015(23)115714(8611)22(24)25h29H10H21H3
MFCD06602476
ZINC000002232864
ZINC02232864
ZINC2232864

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Available files

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