Vitas-M small molecule compound
4-methoxy-N-{[5-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK138708
SMILES COc1ccc(cc1)C(=O)NCc1nnc(n1c1ccccc1)SCC(=O)Nc1ccc(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 C25H22N6O5S MW 518.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N6O5S/c1-36-21-13-7-17(8-14-21)24(33)26-15-22-28-29-25(30(22)19-5-3-2-4-6-19)37-16-23(32)27-18-9-11-20(12-10-18)31(34)35/h2-14H,15-16H2,1H3,(H,26,33)(H,27,32)InChIKey
NFTZJICERZHMAK-UHFFFAOYSA-NSynonyms
4METHOXYN((5((2((4NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4PHENYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
4METHOXYN((5(2(4NITROANILINO)2OXOETHYL)SULFANYL4PHENYL124TRIAZOL3YL)METHYL)BENZAMIDE
4METHOXYN(5((4NITROPHENYLCARBAMOYL)METHYLSULFANYL)4PHENYL4H(124)TRIAZOL3YLMETHYL)BENZAMIDE
COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)(N+)(=O)(O)
COc1ccc(cc1)C(=O)NCc1nnc(n1c1ccccc1)SCC(=O)Nc1ccc(cc1)(N+)(=O)(O)
InChI=1SC25H22N6O5Sc1362113717(81421)24(33)261522282925(30(22)195324619)371623(32)271891120(121018)31(34)35h214H1516H21H3(H2633)(H2732)
MFCD04405360
ZINC000009260859
ZINC09260859
ZINC9260859
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.