Vitas-M small molecule compound
2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3-nitrophenyl)ethanone
Catalog ID
STK245584
SMILES Cn1c(SCC(=O)c2cccc(c2)[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 C18H16N4O3S MW 368.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O3S/c1-21-17(10-13-6-3-2-4-7-13)19-20-18(21)26-12-16(23)14-8-5-9-15(11-14)22(24)25/h2-9,11H,10,12H2,1H3InChIKey
UKJRMZIASYBDEE-UHFFFAOYSA-NSynonyms
2((5BENZYL4METHYL124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2((5BENZYL4METHYL4H124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2(5BENZYL4METHYL4H(124)TRIAZOL3YLSULFANYL)1(3NITROPHENYL)ETHANONE
CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))CC3=CC=CC=C3
Cn1c(SCC(=O)c2cccc(c2)(N+)(=O)(O))nnc1Cc1ccccc1
InChI=1SC18H16N4O3Sc12117(10136324713)192018(21)261216(23)1485915(1114)22(24)25h2911H1012H21H3
MFCD08670198
ZINC000009327564
ZINC09327564
ZINC9327564
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