Vitas-M small molecule compound
4-ethyl-3-[(naphthalen-1-ylmethyl)sulfanyl]-5-(4-nitrophenyl)-4H-1,2,4-triazole
Catalog ID
STK147401
SMILES CCn1c(nnc1c1ccc(cc1)[N+](=O)[O-])SCc1cccc2c1cccc2
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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 C21H18N4O2S MW 390.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O2S/c1-2-24-20(16-10-12-18(13-11-16)25(26)27)22-23-21(24)28-14-17-8-5-7-15-6-3-4-9-19(15)17/h3-13H,2,14H2,1H3InChIKey
ITJUYFXZOATVKV-UHFFFAOYSA-NSynonyms
4ETHYL3((NAPHTHALEN1YLMETHYL)SULFANYL)5(4NITROPHENYL)4H124TRIAZOLE
4ETHYL3(NAPHTHALEN1YLMETHYLSULFANYL)5(4NITROPHENYL)124TRIAZOLE
CCN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)(N+)(=O)(O)
CCn1c(nnc1c1ccc(cc1)(N+)(=O)(O))SCc1cccc2c1cccc2
InChI=1SC21H18N4O2Sc122420(16101218(131116)25(26)27)222321(24)28141785715634919(15)17h313H214H21H3
MFCD03877745
ZINC000001129316
ZINC01129316
ZINC1129316
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