Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Catalog ID
STK804085
SMILES Cn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccc2c(c1)OCO2
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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 C17H14N4O4S MW 370.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O4S/c1-20-16(12-4-7-14-15(8-12)25-10-24-14)18-19-17(20)26-9-11-2-5-13(6-3-11)21(22)23/h2-8H,9-10H2,1H3InChIKey
GDMUZIUZVFPWNC-UHFFFAOYSA-NSynonyms
496776-22-83(13benzodioxol5yl)4methyl5((4nitrobenzyl)sulfanyl)4H124triazole
3(13BENZODIOXOL5YL)4METHYL5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOLE
3(BENZO(D)(13)DIOXOL5YL)4METHYL5((4NITROBENZYL)THIO)4H124TRIAZOLE
496776228
5(2HBENZO(34D)13DIOXOLAN5YL)4METHYL3((4NITROPHENYL)METHYLTHIO)124TRIAZOLE
CN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))C3=CC4=C(C=C3)OCO4
Cn1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1ccc2c(c1)OCO2
InChI=1SC17H14N4O4Sc12016(12471415(812)25102414)181917(20)269112513(6311)21(22)23h28H910H21H3
MFCD03621236
ZINC000004275506
ZINC04275506
ZINC4275506
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