Vitas-M small molecule compound
(2E)-1-cyclopropyl-3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-en-1-one
Catalog ID
STK078595
SMILES COc1ccc(cc1Cn1ncc(c1)[N+](=O)[O-])/C=C/C(=O)C1CC1
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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 C17H17N3O4 MW 327.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O4/c1-24-17-7-3-12(2-6-16(21)13-4-5-13)8-14(17)10-19-11-15(9-18-19)20(22)23/h2-3,6-9,11,13H,4-5,10H2,1H3/b6-2+InChIKey
SCNVEBWEFHIDSF-QHHAFSJGSA-NSynonyms
(2E)1CYCLOPROPYL3(4METHOXY3((4NITRO1HPYRAZOL1YL)METHYL)PHENYL)PROP2EN1ONE
(E)1CYCLOPROPYL3(4METHOXY3((4NITROPYRAZOL1YL)METHYL)PHENYL)PROP2EN1ONE
COC1=C(C=C(C=C1)C=CC(=O)C2CC2)CN3C=C(C=N3)(N+)(=O)(O)
COc1ccc(cc1Cn1ncc(c1)(N+)(=O)(O))C=CC(=O)C1CC1
InChI=1SC17H17N3O4c124177312(2616(21)134513)814(17)10191115(91819)20(22)23h23691113H4510H21H3b62+
MFCD03057439
STK078595
ZINC000000193599
ZINC00193599
ZINC193599
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