Vitas-M small molecule compound
N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
Catalog ID
STL399478
SMILES O=C(c1noc(c1Cn1ncc(c1)[N+](=O)[O-])C)Nc1c(C)nn(c1C)Cc1ccccc1Cl
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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 C21H20ClN7O4 MW 469.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN7O4/c1-12-19(13(2)28(25-12)9-15-6-4-5-7-18(15)22)24-21(30)20-17(14(3)33-26-20)11-27-10-16(8-23-27)29(31)32/h4-8,10H,9,11H2,1-3H3,(H,24,30)InChIKey
AFDOGHSOTCKRNT-UHFFFAOYSA-NSynonyms
1006995-71-61006995716
CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)NC(=O)C3=NOC(=C3CN4C=C(C=N4)(N+)(=O)(O))C
InChI=1SC21H20ClN7O4c11219(13(2)28(2512)915645718(15)22)2421(30)2017(14(3)332620)11271016(82327)29(31)32h4810H911H213H3(H2430)
MFCD08554088
N(1((2chlorophenyl)methyl)35dimethylpyrazol4yl)5methyl4((4nitropyrazol1yl)methyl)12oxazole3carboxamide
N(1(2CHLOROBENZYL)35DIMETHYL1HPYRAZOL4YL)5METHYL4((4NITRO1HPYRAZOL1YL)METHYL)12OXAZOLE3CARBOXAMIDE
O=C(c1noc(c1Cn1ncc(c1)(N+)(=O)(O))C)Nc1c(C)nn(c1C)Cc1ccccc1Cl
ZINC000022706029
ZINC22706029
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