Vitas-M small molecule compound
4-[(E)-{[3-(1H-imidazol-1-yl)propyl]imino}methyl]-2-(4-nitrophenyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STK957591
SMILES CCCc1[nH]n(c(=O)c1/C=N/CCCn1cncc1)c1ccc(cc1)[N+](=O)[O-]
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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 C19H22N6O3 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N6O3/c1-2-4-18-17(13-20-9-3-11-23-12-10-21-14-23)19(26)24(22-18)15-5-7-16(8-6-15)25(27)28/h5-8,10,12-14,22H,2-4,9,11H2,1H3/b20-13+InChIKey
XPBFJGBHYCRICO-DEDYPNTBSA-NSynonyms
514217-61-9514217619
CCCc1(nH)n(c(=O)c1C=NCCCn1cncc1)c1ccc(cc1)(N+)(=O)(O)
MFCD01919217
ZINC000002742020
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