Vitas-M small molecule compound
4-ethyl-3-[(4-nitrobenzyl)sulfanyl]-5-(phenoxymethyl)-4H-1,2,4-triazole
Catalog ID
STL026031
SMILES CCn1c(nnc1COc1ccccc1)SCc1ccc(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 C18H18N4O3S MW 370.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O3S/c1-2-21-17(12-25-16-6-4-3-5-7-16)19-20-18(21)26-13-14-8-10-15(11-9-14)22(23)24/h3-11H,2,12-13H2,1H3InChIKey
NBFXPNCHYHWWHC-UHFFFAOYSA-NSynonyms
714933-47-8((4ETHYL5((4NITROPHENYL)METHYLTHIO)124TRIAZOL3YL)METHOXY)BENZENE
4ETHYL3(((4NITROPHENYL)METHYL)SULFANYL)5(PHENOXYMETHYL)4H124TRIAZOLE
4ethyl3((4nitrobenzyl)sulfanyl)5(phenoxymethyl)4H124triazole
4ethyl3((4nitrobenzyl)thio)5(phenoxymethyl)4H124triazole
4ETHYL3((4NITROPHENYL)METHYLSULFANYL)5(PHENOXYMETHYL)124TRIAZOLE
714933478
CCN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))COC3=CC=CC=C3
CCn1c(nnc1COc1ccccc1)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC18H18N4O3Sc122117(1225166435716)192018(21)26131481015(11914)22(23)24h311H21213H21H3
MFCD05678939
ZINC000005296561
ZINC05296561
ZINC5296561
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