Vitas-M small molecule compound
2-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone
Catalog ID
STL416897
SMILES CCn1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])nnc1Cc1ccccc1
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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 C19H18N4O3S MW 382.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O3S/c1-2-22-18(12-14-6-4-3-5-7-14)20-21-19(22)27-13-17(24)15-8-10-16(11-9-15)23(25)26/h3-11H,2,12-13H2,1H3InChIKey
QOKZYASZEMRVPP-UHFFFAOYSA-NSynonyms
2((5BENZYL4ETHYL124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
2((5benzyl4ethyl4H124triazol3yl)sulfanyl)1(4nitrophenyl)ethanone
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)(N+)(=O)(O))CC3=CC=CC=C3
CCn1c(SCC(=O)c2ccc(cc2)(N+)(=O)(O))nnc1Cc1ccccc1
InChI=1SC19H18N4O3Sc122218(12146435714)202119(22)271317(24)1581016(11915)23(25)26h311H21213H21H3
MFCD14713405
ZINC000007342080
ZINC7342080
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