Vitas-M small molecule compound
2-{[4-ethyl-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Catalog ID
STK497652
SMILES CCn1c(SCC(=O)c2cccc(c2)[N+](=O)[O-])nnc1c1cccc(c1)F
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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 C18H15FN4O3S MW 386.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15FN4O3S/c1-2-22-17(13-6-3-7-14(19)9-13)20-21-18(22)27-11-16(24)12-5-4-8-15(10-12)23(25)26/h3-10H,2,11H2,1H3InChIKey
UOYMHFUMTYSNSS-UHFFFAOYSA-NSynonyms
2((4ethyl5(3fluorophenyl)124triazol3yl)sulfanyl)1(3nitrophenyl)ethanone
2((4ethyl5(3fluorophenyl)4H124triazol3yl)sulfanyl)1(3nitrophenyl)ethanone
CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))C3=CC(=CC=C3)F
CCn1c(SCC(=O)c2cccc(c2)(N+)(=O)(O))nnc1c1cccc(c1)F
InChI=1SC18H15FN4O3Sc122217(1363714(19)913)202118(22)271116(24)1254815(1012)23(25)26h310H211H21H3
MFCD11855022
ZINC000032579383
ZINC32579383
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