Vitas-M small molecule compound
4-(2-methoxyethyl)-3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole
Catalog ID
STL379545
SMILES COCCn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccccc1
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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 C18H18N4O3S MW 370.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O3S/c1-25-12-11-21-17(15-5-3-2-4-6-15)19-20-18(21)26-13-14-7-9-16(10-8-14)22(23)24/h2-10H,11-13H2,1H3InChIKey
SOCHWILCJZBULH-UHFFFAOYSA-NSynonyms
4(2methoxyethyl)3((4nitrobenzyl)sulfanyl)5phenyl4H124triazole
4(2METHOXYETHYL)3((4NITROPHENYL)METHYLSULFANYL)5PHENYL124TRIAZOLE
COCCN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))C3=CC=CC=C3
COCCn1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1ccccc1
InChI=1SC18H18N4O3Sc12512112117(155324615)192018(21)2613147916(10814)22(23)24h210H1113H21H3
MFCD04210103
ZINC000002837853
ZINC02837853
ZINC2837853
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