Vitas-M small molecule compound
3-benzyl-4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Catalog ID
STL379447
SMILES CCn1c(SCc2ccc(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 C18H18N4O2S MW 354.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O2S/c1-2-21-17(12-14-6-4-3-5-7-14)19-20-18(21)25-13-15-8-10-16(11-9-15)22(23)24/h3-11H,2,12-13H2,1H3InChIKey
GVXIKCRLQKBXBS-UHFFFAOYSA-NSynonyms
3benzyl4ethyl5((4nitrobenzyl)sulfanyl)4H124triazole
3BENZYL4ETHYL5((4NITROBENZYL)THIO)4H124TRIAZOLE
3BENZYL4ETHYL5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOLE
CCN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))CC3=CC=CC=C3
CCn1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1Cc1ccccc1
InChI=1SC18H18N4O2Sc122117(12146435714)192018(21)25131581016(11915)22(23)24h311H21213H21H3
MFCD04210723
ZINC000001148441
ZINC01148441
ZINC1148441
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