Vitas-M small molecule compound
2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
Catalog ID
STK132951
SMILES O=C(Nc1ccc(cc1)[N+](=O)[O-])CSc1nnc(n1C)COc1ccccc1C
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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/c1-13-5-3-4-6-16(13)28-11-17-21-22-19(23(17)2)29-12-18(25)20-14-7-9-15(10-8-14)24(26)27/h3-10H,11-12H2,1-2H3,(H,20,25)InChIKey
NQOPLJSOTYEODX-UHFFFAOYSA-NSynonyms
2((4METHYL5((2METHYLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)N(4NITROPHENYL)ACETAMIDE
2((4METHYL5((2METHYLPHENOXY)METHYL)4H124TRIAZOL3YL)SULFANYL)N(4NITROPHENYL)ACETAMIDE
CC1=CC=CC=C1OCC2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC19H19N5O4Sc113534616(13)281117212219(23(17)2)291218(25)20147915(10814)24(26)27h310H1112H212H3(H2025)
MFCD02743793
O=C(Nc1ccc(cc1)(N+)(=O)(O))CSc1nnc(n1C)COc1ccccc1C
ZINC000004715865
ZINC04715865
ZINC4715865
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