Vitas-M small molecule compound
2-(5-{[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethanone
Catalog ID
STK781611
SMILES Cc1ccc(c(c1)C)n1nnnc1Sc1nc(nn1CC(=O)N1CCOCC1)[N+](=O)[O-]
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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 C17H19N9O4S MW 445.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N9O4S/c1-11-3-4-13(12(2)9-11)25-17(19-21-22-25)31-16-18-15(26(28)29)20-24(16)10-14(27)23-5-7-30-8-6-23/h3-4,9H,5-8,10H2,1-2H3InChIKey
DPHHCWKENRNMOY-UHFFFAOYSA-NSynonyms
2(5((1(24dimethylphenyl)1Htetrazol5yl)sulfanyl)3nitro1H124triazol1yl)1(morpholin4yl)ethanone
2(5(1(24DIMETHYLPHENYL)TETRAZOL5YL)SULFANYL3NITRO124TRIAZOL1YL)1MORPHOLIN4YLETHANONE
CC1=CC(=C(C=C1)N2C(=NN=N2)SC3=NC(=NN3CC(=O)N4CCOCC4)(N+)(=O)(O))C
Cc1ccc(c(c1)C)n1nnnc1Sc1nc(nn1CC(=O)N1CCOCC1)(N+)(=O)(O)
InChI=1SC17H19N9O4Sc1113413(12(2)911)2517(19212225)31161815(26(28)29)2024(16)1014(27)2357308623h349H5810H212H3
MFCD06015393
ZINC000012447130
ZINC12447130
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