Vitas-M small molecule compound
2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Catalog ID
STL416231
SMILES CCn1c(SCC(=O)c2cccc(c2)[N+](=O)[O-])nnc1COc1ccccc1
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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 C19H18N4O4S MW 398.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O4S/c1-2-22-18(12-27-16-9-4-3-5-10-16)20-21-19(22)28-13-17(24)14-7-6-8-15(11-14)23(25)26/h3-11H,2,12-13H2,1H3InChIKey
ADZYJHMZOKZOSJ-UHFFFAOYSA-NSynonyms
2((4ETHYL5(PHENOXYMETHYL)124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2((4ethyl5(phenoxymethyl)4H124triazol3yl)sulfanyl)1(3nitrophenyl)ethanone
2((4ETHYL5(PHENOXYMETHYL)4H124TRIAZOL3YL)THIO)1(3NITROPHENYL)ETHANONE
CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))COC3=CC=CC=C3
CCn1c(SCC(=O)c2cccc(c2)(N+)(=O)(O))nnc1COc1ccccc1
InChI=1SC19H18N4O4Sc122218(12271694351016)202119(22)281317(24)1476815(1114)23(25)26h311H21213H21H3
MFCD05842785
ZINC000001069820
ZINC01069820
ZINC1069820
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