Vitas-M small molecule compound
N-(4-chlorobenzyl)-2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK434065
SMILES O=C(NCc1ccc(cc1)Cl)CSc1nnc(n1C)CCn1nc(c(c1C)[N+](=O)[O-])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 C19H22ClN7O3S MW 463.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22ClN7O3S/c1-12-18(27(29)30)13(2)26(24-12)9-8-16-22-23-19(25(16)3)31-11-17(28)21-10-14-4-6-15(20)7-5-14/h4-7H,8-11H2,1-3H3,(H,21,28)InChIKey
VMONTUCVUOQOIN-UHFFFAOYSA-NSynonyms
2(5(2(35DIMETHYL4NITROPYRAZOLYL)ETHYL)4METHYL(124TRIAZOL3YLTHIO))N((4CHLOROPHENYL)METHYL)ACETAMIDE
CC1=C(C(=NN1CCC2=NN=C(N2C)SCC(=O)NCC3=CC=C(C=C3)Cl)C)(N+)(=O)(O)
InChI=1SC19H22ClN7O3Sc11218(27(29)30)13(2)26(2412)9816222319(25(16)3)311117(28)2110144615(20)7514h47H811H213H3(H2128)
MFCD03943379
N((4CHLOROPHENYL)METHYL)2((5(2(35DIMETHYL4NITROPYRAZOL1YL)ETHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4chlorobenzyl)2((5(2(35dimethyl4nitro1Hpyrazol1yl)ethyl)4methyl4H124triazol3yl)sulfanyl)acetamide
O=C(NCc1ccc(cc1)Cl)CSc1nnc(n1C)CCn1nc(c(c1C)(N+)(=O)(O))C
ZINC000020294283
ZINC20294283
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