Vitas-M small molecule compound
1-{2-methyl-5-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}-1H-tetrazole
Catalog ID
STK664955
SMILES [O-][N+](=O)c1cc(C)c(cc1Sc1nnc(n1c1ccccc1)C)n1cnnn1
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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 C17H14N8O2S MW 394.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N8O2S/c1-11-8-15(25(26)27)16(9-14(11)23-10-18-21-22-23)28-17-20-19-12(2)24(17)13-6-4-3-5-7-13/h3-10H,1-2H3InChIKey
KMRISBNWJXGJHP-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(C)c(cc1Sc1nnc(n1c1ccccc1)C)n1cnnn1
1(2METHYL5((5METHYL4PHENYL124TRIAZOL3YL)SULFANYL)4NITROPHENYL)TETRAZOLE
1(2methyl5((5methyl4phenyl4H124triazol3yl)sulfanyl)4nitrophenyl)1Htetrazole
CC1=CC(=C(C=C1N2C=NN=N2)SC3=NN=C(N3C4=CC=CC=C4)C)(N+)(=O)(O)
InChI=1SC17H14N8O2Sc111815(25(26)27)16(914(11)231018212223)2817201912(2)24(17)136435713h310H12H3
MFCD07658322
ZINC000012445242
ZINC12445242
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