Vitas-M small molecule compound
2-{5-[(4-methylphenyl)sulfanyl]-3-nitro-1H-1,2,4-triazol-1-yl}-1-(morpholin-4-yl)ethanone
Catalog ID
STK795790
SMILES Cc1ccc(cc1)Sc1nc(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 C15H17N5O4S MW 363.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N5O4S/c1-11-2-4-12(5-3-11)25-15-16-14(20(22)23)17-19(15)10-13(21)18-6-8-24-9-7-18/h2-5H,6-10H2,1H3InChIKey
DDONWPZELWMLLL-UHFFFAOYSA-NSynonyms
727386-89-21morpholino2(3nitro5(ptolylthio)1H124triazol1yl)ethanone
2(5((4methylphenyl)sulfanyl)3nitro1H124triazol1yl)1(morpholin4yl)ethanone
2(5(4METHYLPHENYL)SULFANYL3NITRO124TRIAZOL1YL)1MORPHOLIN4YLETHANONE
727386892
CC1=CC=C(C=C1)SC2=NC(=NN2CC(=O)N3CCOCC3)(N+)(=O)(O)
Cc1ccc(cc1)Sc1nc(nn1CC(=O)N1CCOCC1)(N+)(=O)(O)
InChI=1SC15H17N5O4Sc1112412(5311)25151614(20(22)23)1719(15)1013(21)1868249718h25H610H21H3
MFCD03667118
ZINC000002378027
ZINC02378027
ZINC2378027
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