Vitas-M small molecule compound
4-{[3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoyl]amino}-N-(1,5-dimethyl-1H-pyrazol-4-yl)-1-ethyl-1H-pyrazole-5-carboxamide
Catalog ID
STL399248
SMILES CCn1ncc(c1C(=O)Nc1cnn(c1C)C)NC(=O)CCn1cc(c(n1)[N+](=O)[O-])Cl
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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 C17H20ClN9O4 MW 449.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20ClN9O4/c1-4-26-15(17(29)22-12-7-19-24(3)10(12)2)13(8-20-26)21-14(28)5-6-25-9-11(18)16(23-25)27(30)31/h7-9H,4-6H2,1-3H3,(H,21,28)(H,22,29)InChIKey
TUMCNRFQKPMARR-UHFFFAOYSA-NSynonyms
1005614-24-31005614243
4((3(4CHLORO3NITRO1HPYRAZOL1YL)PROPANOYL)AMINO)N(15DIMETHYL1HPYRAZOL4YL)1ETHYL1HPYRAZOLE5CARBOXAMIDE
4(3(4chloro3nitropyrazol1yl)propanoylamino)N(15dimethylpyrazol4yl)2ethylpyrazole3carboxamide
CCN1C(=C(C=N1)NC(=O)CCN2C=C(C(=N2)(N+)(=O)(O))Cl)C(=O)NC3=C(N(N=C3)C)C
CCn1ncc(c1C(=O)Nc1cnn(c1C)C)NC(=O)CCn1cc(c(n1)(N+)(=O)(O))Cl
InChI=1SC17H20ClN9O4c142615(17(29)221271924(3)10(12)2)13(82026)2114(28)5625911(18)16(2325)27(30)31h79H46H213H3(H2128)(H2229)
MFCD04141008
ZINC000002732398
ZINC02732398
ZINC2732398
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