Vitas-M small molecule compound
4-{[3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoyl]amino}-1-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
Catalog ID
STL402136
SMILES O=C(Nc1cnn(c1C(=O)NCc1cnn(c1)C)C)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 C16H18ClN9O4 MW 435.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18ClN9O4/c1-23-8-10(6-19-23)5-18-16(28)14-12(7-20-24(14)2)21-13(27)3-4-25-9-11(17)15(22-25)26(29)30/h6-9H,3-5H2,1-2H3,(H,18,28)(H,21,27)InChIKey
OZWDKXAQMYDOSV-UHFFFAOYSA-NSynonyms
1005638-83-41005638834
3(4CHLORO3NITROPYRAZOLYL)N(1METHYL5(N((1METHYLPYRAZOL4YL)METHYL)CARBAMOYL)PYRAZOL4YL)PROPANAMIDE
4((3(4chloro3nitro1Hpyrazol1yl)propanoyl)amino)1methylN((1methyl1Hpyrazol4yl)methyl)1Hpyrazole5carboxamide
4(3(4chloro3nitropyrazol1yl)propanoylamino)2methylN((1methylpyrazol4yl)methyl)pyrazole3carboxamide
CN1C=C(C=N1)CNC(=O)C2=C(C=NN2C)NC(=O)CCN3C=C(C(=N3)(N+)(=O)(O))Cl
InChI=1SC16H18ClN9O4c123810(61923)51816(28)1412(72024(14)2)2113(27)3425911(17)15(2225)26(29)30h69H35H212H3(H1828)(H2127)
MFCD04140777
O=C(Nc1cnn(c1C(=O)NCc1cnn(c1)C)C)CCn1cc(c(n1)(N+)(=O)(O))Cl
ZINC000002731619
ZINC02731619
ZINC2731619
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