Vitas-M small molecule compound
2-{[4-benzyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
Catalog ID
STK136426
SMILES O=C(Nc1cc(C)ccc1C)CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)[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 C25H23N5O3S MW 473.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O3S/c1-17-8-9-18(2)22(14-17)26-23(31)16-34-25-28-27-24(20-10-12-21(13-11-20)30(32)33)29(25)15-19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,26,31)InChIKey
ZRHHEJSTYJWMIT-UHFFFAOYSA-NSynonyms
2((4BENZYL5(4NITROPHENYL)124TRIAZOL3YL)SULFANYL)N(25DIMETHYLPHENYL)ACETAMIDE
2((4BENZYL5(4NITROPHENYL)4H124TRIAZOL3YL)SULFANYL)N(25DIMETHYLPHENYL)ACETAMIDE
CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC25H23N5O3Sc1178918(2)22(1417)2623(31)163425282724(20101221(131120)30(32)33)29(25)15196435719h314H1516H212H3(H2631)
MFCD03877068
O=C(Nc1cc(C)ccc1C)CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)(N+)(=O)(O)
ZINC000002835454
ZINC02835454
ZINC2835454
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