Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide
Catalog ID
STK364572
SMILES O=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)/C=C/c1ccc2c(c1)OCO2
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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 C21H19N3O4 MW 377.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4/c1-14-20(21(26)24(23(14)2)16-6-4-3-5-7-16)22-19(25)11-9-15-8-10-17-18(12-15)28-13-27-17/h3-12H,13H2,1-2H3,(H,22,25)/b11-9+InChIKey
WCEHPQFGQMUFFT-PKNBQFBNSA-NSynonyms
326907-44-2(2E)3(13BENZODIOXOL5YL)N(15DIMETHYL3OXO2PHENYL23DIHYDRO1HPYRAZOL4YL)PROP2ENAMIDE
(2E)3(2HBENZO(34D)13DIOXOLEN5YL)N(23DIMETHYL5OXO1PHENYL(3PYRAZOLIN4YL))PROP2ENAMIDE
(E)3(13BENZODIOXOL5YL)N(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)PROP2ENAMIDE
(E)3(benzo(d)(13)dioxol5yl)N(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)acrylamide
326907442
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C=CC3=CC4=C(C=C3)OCO4
InChI=1SC21H19N3O4c11420(21(26)24(23(14)2)166435716)2219(25)119158101718(1215)28132717h312H13H212H3(H2225)b119+
MFCD01352637
O=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)C=Cc1ccc2c(c1)OCO2
ZINC000001470135
ZINC01470135
ZINC1470135
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