Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Catalog ID
STK186981
SMILES Cn1c(SCC(=O)c2cccc(c2)[N+](=O)[O-])nnc1c1cc2c(o1)cccc2
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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 C19H14N4O4S MW 394.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N4O4S/c1-22-18(17-10-13-5-2-3-8-16(13)27-17)20-21-19(22)28-11-15(24)12-6-4-7-14(9-12)23(25)26/h2-10H,11H2,1H3InChIKey
CIWXYYFDYBLQTR-UHFFFAOYSA-NSynonyms
2((5(1BENZOFURAN2YL)4METHYL124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2((5(1BENZOFURAN2YL)4METHYL4H124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))C3=CC4=CC=CC=C4O3
Cn1c(SCC(=O)c2cccc(c2)(N+)(=O)(O))nnc1c1cc2c(o1)cccc2
InChI=1SC19H14N4O4Sc12218(171013523816(13)2717)202119(22)281115(24)1264714(912)23(25)26h210H11H21H3
MFCD06006175
ZINC000002876649
ZINC02876649
ZINC2876649
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