Vitas-M small molecule compound
3-benzyl-4-(4-methoxyphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Catalog ID
STL375546
SMILES COc1ccc(cc1)n1c(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 C23H20N4O3S MW 432.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O3S/c1-30-21-13-11-19(12-14-21)26-22(15-17-5-3-2-4-6-17)24-25-23(26)31-16-18-7-9-20(10-8-18)27(28)29/h2-14H,15-16H2,1H3InChIKey
LDTJAEJXPCMLTH-UHFFFAOYSA-NSynonyms
3benzyl4(4methoxyphenyl)5((4nitrobenzyl)sulfanyl)4H124triazole
3BENZYL4(4METHOXYPHENYL)5((4NITROBENZYL)THIO)4H124TRIAZOLE
3BENZYL4(4METHOXYPHENYL)5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOLE
COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)(N+)(=O)(O))CC4=CC=CC=C4
COc1ccc(cc1)n1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1Cc1ccccc1
InChI=1SC23H20N4O3Sc13021131119(121421)2622(15175324617)242523(26)3116187920(10818)27(28)29h214H1516H21H3
MFCD04210685
ZINC000001148198
ZINC01148198
ZINC1148198
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