Vitas-M small molecule compound

3-[(4-chlorobenzyl)sulfanyl]-4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazole

Catalog ID
STK140492
SMILES Clc1ccc(cc1)CSc1nnc(n1C)c1cccc(c1)[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 C16H13ClN4O2S MW 360.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN4O2S/c1-20-15(12-3-2-4-14(9-12)21(22)23)18-19-16(20)24-10-11-5-7-13(17)8-6-11/h2-9H,10H2,1H3
InChIKey
LIXVZTZIXSMGFE-UHFFFAOYSA-N
Synonyms

3((4CHLOROBENZYL)SULFANYL)4METHYL5(3NITROPHENYL)4H124TRIAZOLE
3((4CHLOROPHENYL)METHYLSULFANYL)4METHYL5(3NITROPHENYL)124TRIAZOLE
Clc1ccc(cc1)CSc1nnc(n1C)c1cccc(c1)(N+)(=O)(O)
CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC16H13ClN4O2Sc12015(1232414(912)21(22)23)181916(20)2410115713(17)8611h29H10H21H3
MFCD03876925
ZINC000004682097
ZINC04682097
ZINC4682097

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Available files

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