Vitas-M small molecule compound
2-{[5-(1,3-benzodioxol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Catalog ID
STK804137
SMILES CCn1c(SCC(=O)c2ccc(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 C19H16N4O5S MW 412.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4O5S/c1-2-22-18(13-5-8-16-17(9-13)28-11-27-16)20-21-19(22)29-10-15(24)12-3-6-14(7-4-12)23(25)26/h3-9H,2,10-11H2,1H3InChIKey
BFVMIPUDZKDKQJ-UHFFFAOYSA-NSynonyms
2((5(13BENZODIOXOL5YL)4ETHYL124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
2((5(13benzodioxol5yl)4ethyl4H124triazol3yl)sulfanyl)1(4nitrophenyl)ethanone
2(5(2HBENZO(34D)13DIOXOLEN5YL)4ETHYL(124TRIAZOL3YLTHIO))1(4NITROPHENYL)ETHAN1ONE
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)(N+)(=O)(O))C3=CC4=C(C=C3)OCO4
CCn1c(SCC(=O)c2ccc(cc2)(N+)(=O)(O))nnc1c1ccc2c(c1)OCO2
InChI=1SC19H16N4O5Sc122218(13581617(913)28112716)202119(22)291015(24)123614(7412)23(25)26h39H21011H21H3
MFCD03621362
ZINC000001123842
ZINC01123842
ZINC1123842
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