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-methyl-1H-pyrazole-5-carboxamide
Catalog ID
STL398271
SMILES O=C(Nc1cnn(c1C(=O)Nc1cnn(c1C)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/c1-9-11(6-18-23(9)2)21-16(28)14-12(7-19-24(14)3)20-13(27)4-5-25-8-10(17)15(22-25)26(29)30/h6-8H,4-5H2,1-3H3,(H,20,27)(H,21,28)InChIKey
YSKAHULZAYFFTM-UHFFFAOYSA-NSynonyms
1005671-37-31005671373
4((3(4CHLORO3NITRO1HPYRAZOL1YL)PROPANOYL)AMINO)N(15DIMETHYL1HPYRAZOL4YL)1METHYL1HPYRAZOLE5CARBOXAMIDE
4(3(4chloro3nitropyrazol1yl)propanoylamino)N(15dimethylpyrazol4yl)2methylpyrazole3carboxamide
CC1=C(C=NN1C)NC(=O)C2=C(C=NN2C)NC(=O)CCN3C=C(C(=N3)(N+)(=O)(O))Cl
InChI=1SC16H18ClN9O4c1911(61823(9)2)2116(28)1412(71924(14)3)2013(27)4525810(17)15(2225)26(29)30h68H45H213H3(H2027)(H2128)
MFCD05667234
O=C(Nc1cnn(c1C(=O)Nc1cnn(c1C)C)C)CCn1cc(c(n1)(N+)(=O)(O))Cl
ZINC000002732543
ZINC02732543
ZINC2732543
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