Vitas-M small molecule compound
2-{[4-methyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Catalog ID
STK116580
SMILES CC(c1nnc(n1C)SCC(=O)Nc1ccc(cc1)[N+](=O)[O-])Oc1ccccc1
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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 C19H19N5O4S MW 413.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N5O4S/c1-13(28-16-6-4-3-5-7-16)18-21-22-19(23(18)2)29-12-17(25)20-14-8-10-15(11-9-14)24(26)27/h3-11,13H,12H2,1-2H3,(H,20,25)InChIKey
RRJHPHLJAONTNK-UHFFFAOYSA-NSynonyms
2((4METHYL5(1PHENOXYETHYL)124TRIAZOL3YL)SULFANYL)N(4NITROPHENYL)ACETAMIDE
2((4METHYL5(1PHENOXYETHYL)4H124TRIAZOL3YL)SULFANYL)N(4NITROPHENYL)ACETAMIDE
CC(C1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O))OC3=CC=CC=C3
CC(c1nnc(n1C)SCC(=O)Nc1ccc(cc1)(N+)(=O)(O))Oc1ccccc1
InChI=1SC19H19N5O4Sc113(28166435716)18212219(23(18)2)291217(25)201481015(11914)24(26)27h31113H12H212H3(H2025)
MFCD04128513
ZINC000004690828
ZINC000004690829
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