Vitas-M small molecule compound

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

Catalog ID
STK119319
SMILES CCn1c(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])nnc1C(C(C)C)NC(=O)c1ccccc1

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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 C23H26N6O4S MW 482.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N6O4S/c1-4-28-21(20(15(2)3)25-22(31)16-8-6-5-7-9-16)26-27-23(28)34-14-19(30)24-17-10-12-18(13-11-17)29(32)33/h5-13,15,20H,4,14H2,1-3H3,(H,24,30)(H,25,31)
InChIKey
RVYAMZAJHOFCJI-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O))C(C(C)C)NC(=O)C3=CC=CC=C3
CCn1c(SCC(=O)Nc2ccc(cc2)(N+)(=O)(O))nnc1C(C(C)C)NC(=O)c1ccccc1
InChI=1SC23H26N6O4Sc142821(20(15(2)3)2522(31)168657916)262723(28)341419(30)2417101218(131117)29(32)33h5131520H414H213H3(H2430)(H2531)
MFCD03995594
N(1(4ETHYL5((2((4NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)2METHYLPROPYL)BENZAMIDE
N(1(4ETHYL5(2(4NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)2METHYLPROPYL)BENZAMIDE
ZINC000009304968
ZINC000009304970

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Available files

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