Vitas-M small molecule compound
(2E)-1-(1,3-dimethyl-1H-pyrazol-4-yl)-3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-en-1-one
Catalog ID
STK309545
SMILES COc1ccc(cc1Cn1ncc(c1)[N+](=O)[O-])/C=C/C(=O)c1cn(nc1C)C
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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 C19H19N5O4 MW 381.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N5O4/c1-13-17(12-22(2)21-13)18(25)6-4-14-5-7-19(28-3)15(8-14)10-23-11-16(9-20-23)24(26)27/h4-9,11-12H,10H2,1-3H3/b6-4+InChIKey
BYFQXGQUFHKSMY-GQCTYLIASA-NSynonyms
1005704-00-6(2E)1(13dimethyl1Hpyrazol4yl)3(4methoxy3((4nitro1Hpyrazol1yl)methyl)phenyl)prop2en1one
(E)1(13DIMETHYLPYRAZOL4YL)3(4METHOXY3((4NITROPYRAZOL1YL)METHYL)PHENYL)PROP2EN1ONE
1005704006
CC1=NN(C=C1C(=O)C=CC2=CC(=C(C=C2)OC)CN3C=C(C=N3)(N+)(=O)(O))C
COc1ccc(cc1Cn1ncc(c1)(N+)(=O)(O))C=CC(=O)c1cn(nc1C)C
InChI=1SC19H19N5O4c11317(1222(2)2113)18(25)64145719(283)15(814)10231116(92023)24(26)27h491112H10H213H3b64+
MFCD04052866
ZINC000006527235
ZINC06527235
ZINC6527235
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