Vitas-M small molecule compound

2-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3-nitrophenyl)ethanone

Catalog ID
STK219430
SMILES CCn1c(SCC(=O)c2cccc(c2)[N+](=O)[O-])nnc1Cc1ccccc1

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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 C19H18N4O3S MW 382.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O3S/c1-2-22-18(11-14-7-4-3-5-8-14)20-21-19(22)27-13-17(24)15-9-6-10-16(12-15)23(25)26/h3-10,12H,2,11,13H2,1H3
InChIKey
YHRBUEORUCZJRZ-UHFFFAOYSA-N
Synonyms

2((5BENZYL4ETHYL124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2((5BENZYL4ETHYL4H124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2((5BENZYL4ETHYL4H124TRIAZOL3YL)THIO)1(3NITROPHENYL)ETHANONE
CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))CC3=CC=CC=C3
CCn1c(SCC(=O)c2cccc(c2)(N+)(=O)(O))nnc1Cc1ccccc1
InChI=1SC19H18N4O3Sc122218(11147435814)202119(22)271317(24)15961016(1215)23(25)26h31012H21113H21H3
MFCD05842783
ZINC000001059525
ZINC01059525
ZINC1059525

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Available files

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