Vitas-M small molecule compound
3-[(1,3-benzodioxol-5-yloxy)methyl]-4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Catalog ID
STK807271
SMILES CCn1c(nnc1COc1ccc2c(c1)OCO2)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 C19H18N4O5S MW 414.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O5S/c1-2-22-18(10-26-15-7-8-16-17(9-15)28-12-27-16)20-21-19(22)29-11-13-3-5-14(6-4-13)23(24)25/h3-9H,2,10-12H2,1H3InChIKey
HTYPFIRLGFGCNU-UHFFFAOYSA-NSynonyms
612525-48-13((13benzodioxol5yloxy)methyl)4ethyl5((4nitrobenzyl)sulfanyl)4H124triazole
3((BENZO(D)(13)DIOXOL5YLOXY)METHYL)4ETHYL5((4NITROBENZYL)THIO)4H124TRIAZOLE
3(13benzodioxol5yloxymethyl)4ethyl5((4nitrophenyl)methylsulfanyl)124triazole
5((4ETHYL5((4NITROPHENYL)METHYLTHIO)124TRIAZOL3YL)METHOXY)2HBENZO(D)13DIOXOLENE
612525481
CCN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))COC3=CC4=C(C=C3)OCO4
CCn1c(nnc1COc1ccc2c(c1)OCO2)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC19H18N4O5Sc122218(102615781617(915)28122716)202119(22)2911133514(6413)23(24)25h39H21012H21H3
MFCD03847636
ZINC000000952742
ZINC00952742
ZINC952742
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