Vitas-M small molecule compound

N-(4-chlorobenzyl)-2-({4-ethyl-5-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

Catalog ID
STK434066
SMILES CCn1c(SCC(=O)NCc2ccc(cc2)Cl)nnc1CCn1nc(cc1C)[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 C19H22ClN7O3S MW 463.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22ClN7O3S/c1-3-25-16(8-9-26-13(2)10-17(24-26)27(29)30)22-23-19(25)31-12-18(28)21-11-14-4-6-15(20)7-5-14/h4-7,10H,3,8-9,11-12H2,1-2H3,(H,21,28)
InChIKey
PFQJVJHMCUZTRC-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)Cl)CCN3C(=CC(=N3)(N+)(=O)(O))C
CCn1c(SCC(=O)NCc2ccc(cc2)Cl)nnc1CCn1nc(cc1C)(N+)(=O)(O)
InChI=1SC19H22ClN7O3Sc132516(892613(2)1017(2426)27(29)30)222319(25)311218(28)2111144615(20)7514h4710H3891112H212H3(H2128)
MFCD03943380
N((4CHLOROPHENYL)METHYL)2((4ETHYL5(2(5METHYL3NITROPYRAZOL1YL)ETHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N((4CHLOROPHENYL)METHYL)2(4ETHYL5(2(5METHYL3NITROPYRAZOLYL)ETHYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N(4chlorobenzyl)2((4ethyl5(2(5methyl3nitro1Hpyrazol1yl)ethyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000020214157
ZINC20214157

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Available files

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