Vitas-M small molecule compound
3-benzyl-4-(2-methoxyethyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Catalog ID
STL379576
SMILES COCCn1c(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 C19H20N4O3S MW 384.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O3S/c1-26-12-11-22-18(13-15-5-3-2-4-6-15)20-21-19(22)27-14-16-7-9-17(10-8-16)23(24)25/h2-10H,11-14H2,1H3InChIKey
XLKMKCBUXMMRDY-UHFFFAOYSA-NSynonyms
3benzyl4(2methoxyethyl)5((4nitrobenzyl)sulfanyl)4H124triazole
3BENZYL4(2METHOXYETHYL)5((4NITROBENZYL)THIO)4H124TRIAZOLE
3BENZYL4(2METHOXYETHYL)5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOLE
COCCN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))CC3=CC=CC=C3
COCCn1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1Cc1ccccc1
InChI=1SC19H20N4O3Sc12612112218(13155324615)202119(22)2714167917(10816)23(24)25h210H1114H21H3
MFCD04210015
ZINC000002837767
ZINC02837767
ZINC2837767
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