Vitas-M small molecule compound

3-methyl-N-{[4-methyl-5-({1-[(4-nitrophenyl)amino]-1-oxobutan-2-yl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

Catalog ID
STK267259
SMILES CCC(C(=O)Nc1ccc(cc1)[N+](=O)[O-])Sc1nnc(n1C)CNC(=O)c1cccc(c1)C

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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 C22H24N6O4S MW 468.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N6O4S/c1-4-18(21(30)24-16-8-10-17(11-9-16)28(31)32)33-22-26-25-19(27(22)3)13-23-20(29)15-7-5-6-14(2)12-15/h5-12,18H,4,13H2,1-3H3,(H,23,29)(H,24,30)
InChIKey
IGRMOXWQPLYVAW-UHFFFAOYSA-N
Synonyms

3methylN((4methyl5((1((4nitrophenyl)amino)1oxobutan2yl)sulfanyl)4H124triazol3yl)methyl)benzamide
3methylN((4methyl5(1(4nitroanilino)1oxobutan2yl)sulfanyl124triazol3yl)methyl)benzamide
3METHYLN(4METHYL5(1(4NITROPHENYLCARBAMOYL)PROPYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)BENZAMIDE
CCC(C(=O)NC1=CC=C(C=C1)(N+)(=O)(O))SC2=NN=C(N2C)CNC(=O)C3=CC(=CC=C3)C
CCC(C(=O)Nc1ccc(cc1)(N+)(=O)(O))Sc1nnc(n1C)CNC(=O)c1cccc(c1)C
InChI=1SC22H24N6O4Sc1418(21(30)241681017(11916)28(31)32)3322262519(27(22)3)132320(29)1575614(2)1215h51218H413H213H3(H2329)(H2430)
MFCD09267898
ZINC000009583168
ZINC000009583173

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Available files

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